727	181	654	0:SP2_SP2_SP3	C[5a]	S[5a]	B[3]	4:3:2:	3:3:	4:5:3:3:	B[3]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	B[3,6,6]-4:B[3]-5:C[5a]-3:C[5]-3:	C[5a](B[3]B[3,6,6]B[3]C[5])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]B[3])(C[5a]C[5a]Si)	B[3](B[3,6,6]C[6,6]2B[3])(B[3]B[3,6,6]C[5]HH)(C[5a]C[5a]S[5a])(C[5]N[5]2)	C[5a](B[3]B[3,6,6]B[3]C[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|Si<4>,1|C<3>,2|C<4>,2|N<3>,3|H<1>}	S[5a](C[5a]C[5a]B[3])(C[5a]C[5a]Si){1|B<4>,1|B<5>,1|C<3>,2|H<1>}	B[3](B[3,6,6]C[6,6]2B[3])(B[3]B[3,6,6]C[5]HH)(C[5a]C[5a]S[5a])(C[5]N[5]2){2|N<3>,3|H<1>,4|C<3>,6|C<4>}	122.4720	0.000	1	122.4720	0.000	1	122.4720	0.000	1	122.4720	0.000	1	122.4720	0.000	1	122.4720	0.000	1
727	181	658	0:SP2_SP2_SP3	C[5a,6]	S[5a]	Si[6,6]	3:4:2:	3:3:	3:3:3:3:	C[5a,6]-3:Si[6,6]-4:S[5a]-2:	C[5a,5a]-3:C[5a,6]-3:	C[5a,6]-3:C[5a,6]-3:C[5a,6]-3:C[5a,6]-3:	C[5a,6](C[5a,6]C[5a,5a]S[6])(Si[6,6]C[5a,6]3)(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6]C[5a,6]Si[6,6])	Si[6,6](C[5a,6]C[5a,6]S[5a])4	C[5a,6](C[5a,6]C[5a,5a]S[6])(Si[6,6]C[5a,6]3)(S[5a]C[5a,5a]){4|C<3>,4|S<2>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6]C[5a,6]Si[6,6]){1|S<2>,5|C<3>}	Si[6,6](C[5a,6]C[5a,6]S[5a])4{2|S<2>,8|C<3>}	119.6140	0.000	1	119.6140	0.000	1	119.6140	0.000	1	119.6140	0.000	1	119.6140	0.000	1	118.9537	0.328	3
727	181	658	0:SP2_SP2_SP3	C[5a,6]	S[5a]	Si[6]	3:4:2:	3:3:	3:3:4:4:	C[5a,6]-3:Si[6]-4:S[5a]-2:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6]-3:C[5a,6]-3:C-4:C-4:	C[5a,6](C[5a,6]C[5a,6a]Si[6])(Si[6]C[5a,6]CC)(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]Si[6])	Si[6](C[5a,6]C[5a,6]S[5a])2(CH3)2	C[5a,6](C[5a,6]C[5a,6a]Si[6])(Si[6]C[5a,6]CC)(S[5a]C[5a,6a]){1|S<2>,2|C<4>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]Si[6]){1|Si<4>,1|H<1>,2|C<4>,3|C<3>}	Si[6](C[5a,6]C[5a,6]S[5a])2(CH3)2{1|Si<4>,4|C<3>}	118.6235	0.046	2	118.6235	0.002	2	118.6235	0.002	2	118.6235	0.002	2	118.6235	0.002	2	118.9537	0.328	3
727	181	679	0:SP2_SP2_SP3	C[5a,6]	S[5a]	B[5a,6]	4:3:2:	3:3:	3:3:3:2:	B[5a,6]-4:C[5a,6]-3:S[5a]-2:	C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5a,6]-3:C[5a,6]-3:O[5a]-2:	C[5a,6](B[5a,6]C[5a,6]N[5a,6]O[5a])(C[5a,6]B[5a,6]C[5a])(S[5a]C[5a])	S[5a](C[5a,6]B[5a,6]C[5a,6])(C[5a]C[5a]H)	B[5a,6](N[5a,6]C[5a,6,6a]C[6])(C[5a,6]C[5a,6]C[5a])(C[5a,6]C[5a,6]S[5a])(O[5a]C[5a,6a])	C[5a,6](B[5a,6]C[5a,6]N[5a,6]O[5a])(C[5a,6]B[5a,6]C[5a])(S[5a]C[5a]){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	S[5a](C[5a,6]B[5a,6]C[5a,6])(C[5a]C[5a]H){1|B<4>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	B[5a,6](N[5a,6]C[5a,6,6a]C[6])(C[5a,6]C[5a,6]C[5a])(C[5a,6]C[5a,6]S[5a])(O[5a]C[5a,6a]){1|B<4>,1|S<2>,2|H<1>,6|C<3>}	123.7600	0.000	1	123.7600	0.000	1	123.7600	0.000	1	123.7600	0.000	1	123.7600	0.000	1	120.4350	3.957	5
727	181	679	0:SP2_SP2_SP3	C[5a]	S[5a]	B[5a]	4:3:2:	3:3:	3:3:3:2:	B[5a]-4:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	N[5a,6]-3:C[5a]-3:C[5a]-3:O[5a]-2:	C[5a](B[5a]N[5a,6]C[5a]O[5a])(C[5a]C[5a,6a]H)(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]B[5a]C[5a])	B[5a](N[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a]S[5a])2(O[5a]C[5a,6a])	C[5a](B[5a]N[5a,6]C[5a]O[5a])(C[5a]C[5a,6a]H)(S[5a]C[5a,6a]){1|S<2>,6|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]B[5a]C[5a]){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	B[5a](N[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a]S[5a])2(O[5a]C[5a,6a]){3|H<1>,7|C<3>}	119.6037	0.818	4	119.6037	0.669	4	119.6037	0.669	4	119.6037	0.669	4	119.6037	0.669	4	120.4350	3.957	5
727	181	679	5:SP2_SP2_SP3	C[5a]	S[5a]	B[5a]	4:2:2:	3:3:	3:3:3:3:	B[5a]-4:S[5a]-2:N-2:	C[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:N[5]-3:N[5]-3:	C[5a](B[5a]N[5a,5a]N[5]2)(S[5a]C[5a,5a])(NC[6a])	S[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]B[5a]N)	B[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]N)(N[5]C[5]2)2	C[5a](B[5a]N[5a,5a]N[5]2)(S[5a]C[5a,5a])(NC[6a]){1|N<3>,5|C<3>}	S[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]B[5a]N){1|C<4>,2|C<3>,2|N<3>}	B[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]N)(N[5]C[5]2)2{2|S<1>,3|C<3>,3|H<1>,3|N<3>}	112.5670	0.000	1	112.5670	0.000	1	112.5670	0.000	1	112.5670	0.000	1	112.2680	0.179	2	112.2680	0.179	2
727	181	679	5:SP2_SP2_SP3	C[5a]	S[5a]	B[5a]	4:2:3:	3:3:	3:3:3:3:	B[5a]-4:S[5a]-2:N-3:	C[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:N[5]-3:N[5]-3:	C[5a](B[5a]N[5a,5a]N[5]2)(S[5a]C[5a,5a])(NC[6a]Ru)	S[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]B[5a]N)	B[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]N)(N[5]C[5]2)2	C[5a](B[5a]N[5a,5a]N[5]2)(S[5a]C[5a,5a])(NC[6a]Ru){1|N<3>,5|C<3>}	S[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]B[5a]N){1|C<4>,2|C<3>,2|N<3>}	B[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]N)(N[5]C[5]2)2{2|S<2>,3|C<3>,3|H<1>,3|N<3>}	111.9690	0.000	1	111.9690	0.000	1	111.9690	0.000	1	111.9690	0.000	1	112.2680	0.179	2	112.2680	0.179	2
727	181	727	0:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:2:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5,5a]-3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5,5a]S[5])(S[5a]C[5,5a])	S[5a](C[5,5a]C[5,5a]2)2	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]S[5])(S[5a]C[5a])	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5,5a]S[5])(S[5a]C[5,5a]){1|S<4>,2|O<1>,3|C<3>}	S[5a](C[5,5a]C[5,5a]2)2{2|C<3>,2|S<2>,2|S<4>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]S[5])(S[5a]C[5a]){1|Si<4>,1|H<1>,2|C<3>,2|O<1>}	135.7040	0.000	1	135.7040	0.000	1	135.7040	0.000	1	134.9402	10.892	155	134.9402	10.892	155	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:2:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]As[5]C[5a])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]Br)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]As[5]C[5a])(S[5a]C[5a])	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]As[5]C[5a])(S[5a]C[5a]){1|Br<1>,1|H<1>,3|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]Br){1|As<3>,1|C<3>,1|H<1>,1|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]As[5]C[5a])(S[5a]C[5a]){1|Br<1>,1|H<1>,3|C<3>}	131.5245	0.211	4	131.5245	0.045	4	135.4117	10.164	134	134.9402	10.892	155	134.9402	10.892	155	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:2:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]As[5]C[5a])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C[6a])	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]As[5]C[5a])(S[5a]C[5a])	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]As[5]C[5a])(S[5a]C[5a]){1|H<1>,4|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C[6a]){1|As<3>,1|H<1>,1|S<2>,3|C<3>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]As[5]C[5a])(S[5a]C[5a]){1|H<1>,4|C<3>}	132.1035	0.430	4	132.1035	0.185	4	135.4117	10.164	134	134.9402	10.892	155	134.9402	10.892	155	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:2:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]As[5]C[5a])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]As[5]C[5a])(S[5a]C[5a])	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]As[5]C[5a])(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H){1|As<3>,1|C<3>,1|H<1>,1|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]As[5]C[5a])(S[5a]C[5a]){2|H<1>,3|C<3>}	132.1680	0.656	2	132.1680	0.431	2	135.4117	10.164	134	134.9402	10.892	155	134.9402	10.892	155	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:2:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5,5]C[5a])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]2)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5,5]C[5a])(S[5a]C[5a])	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5,5]C[5a])(S[5a]C[5a]){1|H<1>,2|O<2>,3|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]2){1|C<4>,1|H<1>,2|C<3>,2|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5,5]C[5a])(S[5a]C[5a]){1|H<1>,1|S<2>,2|C<3>,2|O<2>}	138.3880	0.000	1	138.3880	0.000	1	135.4117	10.164	134	134.9402	10.892	155	134.9402	10.892	155	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:2:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5,5]C[5a])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C[6a])	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5,5]C[5a])(S[5a]C[5a])	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5,5]C[5a])(S[5a]C[5a]){1|H<1>,2|O<2>,3|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5,5]C[5a])(S[5a]C[5a]){1|H<1>,2|O<2>,3|C<3>}	138.5807	0.598	4	138.5807	0.357	4	135.4117	10.164	134	134.9402	10.892	155	134.9402	10.892	155	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:2:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5,5]C[5a])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]S)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5,5]C[5a])(S[5a]C[5a])	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5,5]C[5a])(S[5a]C[5a]){1|H<1>,1|S<2>,2|C<3>,2|O<2>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]S){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5,5]C[5a])(S[5a]C[5a]){1|H<1>,2|O<2>,3|C<3>}	139.2500	0.000	1	139.2500	0.000	1	135.4117	10.164	134	134.9402	10.892	155	134.9402	10.892	155	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:2:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5,6]C[5a])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]Br)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5,6]C[5a])(S[5a]C[5a])	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5,6]C[5a])(S[5a]C[5a]){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]Br){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5,6]C[5a])(S[5a]C[5a]){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	138.3275	0.104	2	138.3275	0.011	2	135.4117	10.164	134	134.9402	10.892	155	134.9402	10.892	155	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:2:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5,6]C[5a])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5,6]C[5a])(S[5a]C[5a])	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5,6]C[5a])(S[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5,6]C[5a])(S[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	138.5652	0.414	4	138.5652	0.171	4	135.4117	10.164	134	134.9402	10.892	155	134.9402	10.892	155	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:2:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]B[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]Si)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]B[5])(S[5a]C[5a])	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]B[5])(S[5a]C[5a]){1|Si<4>,1|H<1>,3|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]Si){1|B<3>,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]B[5])(S[5a]C[5a]){1|Si<4>,1|H<1>,3|C<3>}	136.2735	0.685	2	136.2735	0.469	2	135.4117	10.164	134	134.9402	10.892	155	134.9402	10.892	155	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:2:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]C[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]2)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]C[5])(S[5a]C[5a])	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>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]2){1|H<1>,2|S<2>,3|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|S<2>,3|C<3>}	140.0770	2.068	2	140.0770	4.275	2	135.4117	10.164	134	134.9402	10.892	155	134.9402	10.892	155	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:2:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]C[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]Br)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]C[5])(S[5a]C[5a])	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>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]Br){1|H<1>,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|Br<1>,1|H<1>,1|O<1>,2|C<3>}	139.1310	0.953	8	139.1310	0.908	8	135.4117	10.164	134	134.9402	10.892	155	134.9402	10.892	155	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:2:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]C[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]C[5])(S[5a]C[5a])	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>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C){1|H<1>,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>}	138.8290	0.153	2	137.7654	1.596	8	135.4117	10.164	134	134.9402	10.892	155	134.9402	10.892	155	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:2:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]C[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]C[5])(S[5a]C[5a])	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>,2|C<4>,3|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C){1|C<3>,1|C<4>,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|H<1>,2|C<4>,3|C<3>}	137.4108	1.275	6	137.7654	1.596	8	135.4117	10.164	134	134.9402	10.892	155	134.9402	10.892	155	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:2:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]C[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C[6a])	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]C[5])(S[5a]C[5a])	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>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C[6a]){1|H<1>,1|S<2>,4|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>}	139.3003	0.394	6	139.3003	0.155	6	135.4117	10.164	134	134.9402	10.892	155	134.9402	10.892	155	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:2:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]C[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(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[5,5a](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>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H){1|H<1>,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|C<2>,2|C<3>,2|H<1>}	139.5905	0.484	2	138.9466	0.239	16	135.4117	10.164	134	134.9402	10.892	155	134.9402	10.892	155	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:2:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]C[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(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[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]C[5])(S[5a]C[5a]){2|C<3>,4|H<1>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H){1|C<3>,1|C<4>,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|C<3>,4|H<1>}	138.9373	0.225	4	138.9466	0.239	16	135.4117	10.164	134	134.9402	10.892	155	134.9402	10.892	155	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:2:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]C[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(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[5,5a](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>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H){1|H<1>,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]){2|H<1>,3|C<3>}	138.8216	0.497	10	138.9466	0.239	16	135.4117	10.164	134	134.9402	10.892	155	134.9402	10.892	155	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:2:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]C[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]S)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]C[5])(S[5a]C[5a])	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>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]S){1|H<1>,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>}	138.9100	1.338	2	138.9100	1.790	2	135.4117	10.164	134	134.9402	10.892	155	134.9402	10.892	155	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:2:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]Ge[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]Ge[5])(S[5a]C[5a])	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]Ge[5])(S[5a]C[5a]){1|Ge<4>,1|C<4>,2|C<3>,2|H<1>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H){1|Ge<4>,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]Ge[5])(S[5a]C[5a]){1|Ge<4>,1|C<4>,2|C<3>,2|H<1>}	130.3493	0.659	4	130.3493	0.434	4	135.4117	10.164	134	134.9402	10.892	155	134.9402	10.892	155	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:2:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]P[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]Br)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]P[5])(S[5a]C[5a])	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]P[5])(S[5a]C[5a]){1|Br<1>,1|H<1>,1|O<1>,3|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]Br){1|C<3>,1|H<1>,1|P<4>,1|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]P[5])(S[5a]C[5a]){1|O<1>,2|H<1>,3|C<3>}	133.4525	0.470	2	133.4525	0.221	2	135.4117	10.164	134	134.9402	10.892	155	134.9402	10.892	155	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:2:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]P[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C[6])	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]P[5])(S[5a]C[5a])	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]P[5])(S[5a]C[5a]){1|Ir<6>,1|O<1>,4|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C[6]){1|Ir<6>,1|N<3>,1|P<4>,1|S<2>,2|C<3>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]P[5])(S[5a]C[5a]){1|O<1>,2|H<1>,3|C<3>}	132.7370	0.000	1	132.7370	0.000	1	135.4117	10.164	134	134.9402	10.892	155	134.9402	10.892	155	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:2:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]P[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]P[5])(S[5a]C[5a])	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]P[5])(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|P<4>,1|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]P[5])(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	133.8089	0.292	8	133.7706	0.152	35	135.4117	10.164	134	134.9402	10.892	155	134.9402	10.892	155	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:2:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]P[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]P[5])(S[5a]C[5a])	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]P[5])(S[5a]C[5a]){1|O<1>,2|H<1>,3|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|P<4>,1|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]P[5])(S[5a]C[5a]){1|Br<1>,1|H<1>,1|O<1>,3|C<3>}	133.7790	0.116	2	133.7706	0.152	35	135.4117	10.164	134	134.9402	10.892	155	134.9402	10.892	155	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:2:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]P[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]P[5])(S[5a]C[5a])	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]P[5])(S[5a]C[5a]){1|O<1>,2|H<1>,3|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|P<4>,1|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]P[5])(S[5a]C[5a]){1|Ir<6>,1|O<1>,4|C<3>}	134.1410	0.000	1	133.7706	0.152	35	135.4117	10.164	134	134.9402	10.892	155	134.9402	10.892	155	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:2:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]P[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]P[5])(S[5a]C[5a])	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]P[5])(S[5a]C[5a]){1|O<1>,2|H<1>,3|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|P<4>,1|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]P[5])(S[5a]C[5a]){1|O<1>,2|H<1>,3|C<3>}	133.6009	0.433	14	133.7706	0.152	35	135.4117	10.164	134	134.9402	10.892	155	134.9402	10.892	155	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:2:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]P[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]P[5])(S[5a]C[5a])	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]P[5])(S[5a]C[5a]){1|W<6>,2|H<1>,3|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|P<4>,1|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]P[5])(S[5a]C[5a]){1|W<6>,2|H<1>,3|C<3>}	133.9614	0.410	8	133.7706	0.152	35	135.4117	10.164	134	134.9402	10.892	155	134.9402	10.892	155	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:2:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]P[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]P[5])(S[5a]C[5a])	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]P[5])(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|P<3>,1|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]P[5])(S[5a]C[5a]){2|H<1>,3|C<3>}	133.8480	0.324	2	133.7706	0.152	35	135.4117	10.164	134	134.9402	10.892	155	134.9402	10.892	155	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:2:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]P[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]Si)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]P[5])(S[5a]C[5a])	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]P[5])(S[5a]C[5a]){1|Au<2>,1|Si<4>,1|H<1>,3|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]Si){1|C<3>,1|H<1>,1|P<4>,1|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]P[5])(S[5a]C[5a]){1|Au<2>,1|Si<4>,1|H<1>,3|C<3>}	134.7565	0.244	2	133.9960	0.844	4	135.4117	10.164	134	134.9402	10.892	155	134.9402	10.892	155	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:2:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]P[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]Si)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]P[5])(S[5a]C[5a])	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]P[5])(S[5a]C[5a]){1|Si<4>,1|H<1>,1|O<1>,3|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]Si){1|C<3>,1|H<1>,1|P<4>,1|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]P[5])(S[5a]C[5a]){1|Si<4>,1|H<1>,1|O<1>,3|C<3>}	133.2355	0.398	2	133.9960	0.844	4	135.4117	10.164	134	134.9402	10.892	155	134.9402	10.892	155	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:2:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]S[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]2)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]S[5])(S[5a]C[5a])	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]S[5])(S[5a]C[5a]){1|C<4>,2|O<1>,3|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]2){1|C<4>,1|S<4>,2|C<3>,2|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]S[5])(S[5a]C[5a]){1|C<4>,2|O<1>,3|C<3>}	134.8515	0.556	2	134.8515	0.310	2	135.4117	10.164	134	134.9402	10.892	155	134.9402	10.892	155	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:2:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]S[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C[6a])	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]S[5])(S[5a]C[5a])	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]S[5])(S[5a]C[5a]){1|H<1>,2|O<1>,3|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C[6a]){1|H<1>,1|S<2>,1|S<4>,3|C<3>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]S[5])(S[5a]C[5a]){1|H<1>,2|O<1>,3|C<3>}	135.4640	0.291	2	135.4640	0.085	2	135.4117	10.164	134	134.9402	10.892	155	134.9402	10.892	155	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:2:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]S[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a,5a]S[5])(S[5a]C[5a,5a])	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]S[5])(S[5a]C[5a]){2|C<3>,2|H<1>,2|O<1>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|S<2>,1|S<4>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a,5a]S[5])(S[5a]C[5a,5a]){1|S<2>,2|O<1>,3|C<3>}	134.9340	0.000	1	134.9340	0.000	1	135.4117	10.164	134	134.9402	10.892	155	134.9402	10.892	155	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:2:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]S[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]Si)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5,5a]S[5])(S[5a]C[5,5a])	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]S[5])(S[5a]C[5a]){1|Si<4>,1|H<1>,2|C<3>,2|O<1>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]Si){1|C<3>,1|H<1>,1|S<2>,1|S<4>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5,5a]S[5])(S[5a]C[5,5a]){1|S<4>,2|O<1>,3|C<3>}	136.9600	0.000	1	136.9600	0.000	1	135.4117	10.164	134	134.9402	10.892	155	134.9402	10.892	155	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:2:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]Si[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]2)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]Si[5])(S[5a]C[5a])	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]Si[5])(S[5a]C[5a]){1|H<1>,5|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]2){1|Si<4>,1|H<1>,2|C<3>,2|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]Si[5])(S[5a]C[5a]){1|H<1>,1|S<2>,4|C<3>}	130.6280	0.000	1	130.6280	0.000	1	135.4117	10.164	134	134.9402	10.892	155	134.9402	10.892	155	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:2:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]Si[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]S)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]Si[5])(S[5a]C[5a])	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]Si[5])(S[5a]C[5a]){1|H<1>,1|S<2>,4|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]S){1|Si<4>,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]Si[5])(S[5a]C[5a]){1|H<1>,5|C<3>}	131.3060	0.000	1	131.3060	0.000	1	135.4117	10.164	134	134.9402	10.892	155	134.9402	10.892	155	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:2:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]Ga[5,5]C[5a])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]Ga[5,5]C[5a])(S[5a]C[5a])	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]Ga[5,5]C[5a])(S[5a]C[5a]){1|N<4>,2|H<1>,3|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H){1|Ga<4>,1|C<3>,1|H<1>,1|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]Ga[5,5]C[5a])(S[5a]C[5a]){1|N<4>,2|H<1>,3|C<3>}	127.5355	0.541	2	127.5355	0.293	2	135.4117	10.164	134	134.9402	10.892	155	134.9402	10.892	155	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:2:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]Ga[5,5]C[5a])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]Si)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]Ga[5,5]C[5a])(S[5a]C[5a])	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]Ga[5,5]C[5a])(S[5a]C[5a]){1|Si<4>,1|H<1>,1|N<4>,3|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]Si){1|Ga<4>,1|C<3>,1|H<1>,1|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]Ga[5,5]C[5a])(S[5a]C[5a]){1|Si<4>,1|H<1>,1|N<4>,3|C<3>}	127.5420	0.057	2	127.5420	0.003	2	135.4117	10.164	134	134.9402	10.892	155	134.9402	10.892	155	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:2:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]P[5,5]C[5a])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]P[5,5]C[5a])(S[5a]C[5a])	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]P[5,5]C[5a])(S[5a]C[5a]){2|H<1>,2|O<2>,3|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|P<5>,1|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]P[5,5]C[5a])(S[5a]C[5a]){2|H<1>,2|O<2>,3|C<3>}	133.5202	0.620	10	133.5202	0.385	10	135.4117	10.164	134	134.9402	10.892	155	134.9402	10.892	155	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:2:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:N[5,5a]-3:N[5a]-2:	C[5,5a](C[5,5a]N[5,5a]N[5a])(C[5,5a]C[5,6]C[5a])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C[6a])	C[5,5a](C[5,5a]C[5,5a]S[5a])(N[5,5a]C[5,6]C[5a])(N[5a]C[5a])	C[5,5a](C[5,5a]N[5,5a]N[5a])(C[5,5a]C[5,6]C[5a])(S[5a]C[5a]){1|H<1>,5|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(N[5,5a]C[5,6]C[5a])(N[5a]C[5a]){6|C<3>}	138.1680	0.000	1	138.1680	0.000	1	138.1680	0.000	1	134.9402	10.892	155	134.9402	10.892	155	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:2:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5,5a]-3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a,5a]P[5])(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5,5a]C[5,5a]2)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a,5a]P[5])(S[5a]C[5a,5a])	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a,5a]P[5])(S[5a]C[5a,5a]){1|O<1>,1|S<2>,4|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5,5a]C[5,5a]2){1|C<4>,1|P<4>,2|C<3>,2|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a,5a]P[5])(S[5a]C[5a,5a]){1|O<1>,1|S<2>,4|C<3>}	131.2413	1.441	4	131.2413	2.076	4	131.6262	2.298	5	134.9402	10.892	155	134.9402	10.892	155	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:2:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5,5a]-3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a,5a]S[5])(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5,5a]C[5,5a]2)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]S[5])(S[5a]C[5a])	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a,5a]S[5])(S[5a]C[5a,5a]){1|S<2>,2|O<1>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5,5a]C[5,5a]2){1|S<4>,2|C<3>,3|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]S[5])(S[5a]C[5a]){2|C<3>,2|H<1>,2|O<1>}	133.1660	0.000	1	133.1660	0.000	1	131.6262	2.298	5	134.9402	10.892	155	134.9402	10.892	155	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:2:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5a,6a]-3:C[5,5a]-3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a,6a]B[5])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]2)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a,6a]B[5])(S[5a]C[5a,6a])	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a,6a]B[5])(S[5a]C[5a,6a]){5|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]2){1|B<3>,1|H<1>,1|S<2>,3|C<3>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a,6a]B[5])(S[5a]C[5a,6a]){5|C<3>}	134.4485	0.142	2	134.4485	0.020	2	131.3256	2.901	14	134.9402	10.892	155	134.9402	10.892	155	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:2:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5a,6a]-3:C[5,5a]-3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a,6a]P[5])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]2)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a,6a]P[5])(S[5a]C[5a,6a])	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a,6a]P[5])(S[5a]C[5a,6a]){1|C<4>,5|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]2){1|H<1>,1|P<4>,1|S<2>,3|C<3>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a,6a]P[5])(S[5a]C[5a,6a]){1|C<4>,5|C<3>}	131.3990	0.397	6	131.2524	0.317	10	131.3256	2.901	14	134.9402	10.892	155	134.9402	10.892	155	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:2:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5a,6a]-3:C[5,5a]-3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a,6a]P[5])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]2)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a,6a]P[5])(S[5a]C[5a,6a])	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a,6a]P[5])(S[5a]C[5a,6a]){1|O<1>,5|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]2){1|H<1>,1|P<4>,1|S<2>,3|C<3>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a,6a]P[5])(S[5a]C[5a,6a]){1|O<1>,5|C<3>}	131.0325	0.763	4	131.2524	0.317	10	131.3256	2.901	14	134.9402	10.892	155	134.9402	10.892	155	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:2:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5a,6a]-3:C[5,5a]-3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a](C[5,5a]C[5a,6a]Si[5])(C[5,5a]C[5,5a]S[5a])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]2)	C[5,5a](C[5,5a]C[5a,6a]Si[5])(C[5,5a]C[5,5a]S[5a])(S[5a]C[5a,6a])	C[5,5a](C[5,5a]C[5a,6a]Si[5])(C[5,5a]C[5,5a]S[5a])(S[5a]C[5a,6a]){2|C<4>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]2){1|Si<4>,1|H<1>,1|S<2>,3|C<3>}	C[5,5a](C[5,5a]C[5a,6a]Si[5])(C[5,5a]C[5,5a]S[5a])(S[5a]C[5a,6a]){2|C<4>,4|C<3>}	128.5685	0.278	2	128.5685	0.077	2	131.3256	2.901	14	134.9402	10.892	155	134.9402	10.892	155	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,5a]-3:C[5,6a]-3:S[5a]-2:	C[5,5a]-3:C[5,5a]-3:	C[5,6a]-3:C[5,5a]-3:C[5,6a]-3:	C[5,5a](C[5,5a]C[5,5a]Se[5])(C[5,6a]C[5,6a]2)(S[5a]C[5,5a])	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5,5a]C[5,5a]C[5])	C[5,6a](C[5,6a]C[5,5a]C[5,6a])(C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]Se[5])	C[5,5a](C[5,5a]C[5,5a]Se[5])(C[5,6a]C[5,6a]2)(S[5a]C[5,5a]){1|Se<2>,4|C<3>}	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5,5a]C[5,5a]C[5]){2|Se<2>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[5,6a])(C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]Se[5]){1|Se<2>,1|H<1>,1|S<2>,4|C<3>}	133.0545	0.820	2	133.0545	0.672	2	133.0545	0.672	2	134.1088	9.398	38	134.1088	9.398	38	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,5a]-3:C[5,6a]-3:S[5a]-2:	C[5,5a]-3:C[5a,5a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,5a](C[5,5a]C[5a,5a]C[5])(C[5,6a]C[5,6a]C[6a])(S[5a]C[5a,5a])	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,5a]C[5a,5a]C[5a])	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5,5a](C[5,5a]C[5a,5a]C[5])(C[5,6a]C[5,6a]C[6a])(S[5a]C[5a,5a]){1|H<1>,1|S<2>,5|C<3>}	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,5a]C[5a,5a]C[5a]){1|C<4>,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[5,6a]H){1|C<4>,1|H<1>,5|C<3>}	134.1312	0.599	4	134.1312	0.359	4	134.1312	0.359	4	134.1088	9.398	38	134.1088	9.398	38	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,5a]-3:C[5,6a]-3:S[5a]-2:	C[5,5a]-3:C[5a,6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,5a](C[5,5a]C[5a,6a]B[5])(C[5,6a]C[5,6a]C[6a])(S[5a]C[5a,6a])	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[5,5a](C[5,5a]C[5a,6a]B[5])(C[5,6a]C[5,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,5|C<3>}	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a]){1|B<3>,1|H<1>,4|C<3>}	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){2|H<1>,4|C<3>}	131.3740	0.000	1	131.3740	0.000	1	131.8941	11.874	15	134.1088	9.398	38	134.1088	9.398	38	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,5a]-3:C[5,6a]-3:S[5a]-2:	C[5,5a]-3:C[5a,6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(S[5a]C[5a,6a])	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,6|C<3>}	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	134.7135	0.248	2	134.7135	0.062	2	131.8941	11.874	15	134.1088	9.398	38	134.1088	9.398	38	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,5a]-3:C[5,6a]-3:S[5a]-2:	C[5,5a]-3:C[5a,6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-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])	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	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>}	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|H<1>,5|C<3>}	136.2930	0.000	1	134.6865	5.162	2	131.8941	11.874	15	134.1088	9.398	38	134.1088	9.398	38	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,5a]-3:C[5,6a]-3:S[5a]-2:	C[5,5a]-3:C[5a,6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-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])	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,6|C<3>}	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|C<4>,1|H<1>,5|C<3>}	133.0800	0.000	1	134.6865	5.162	2	131.8941	11.874	15	134.1088	9.398	38	134.1088	9.398	38	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,5a]-3:C[5,6a]-3:S[5a]-2:	C[5,5a]-3:C[5a,6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-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])	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	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>}	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){1|H<1>,5|C<3>}	136.5300	0.000	2	136.5300	0.000	2	131.8941	11.874	15	134.1088	9.398	38	134.1088	9.398	38	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,5a]-3:C[5,6a]-3:S[5a]-2:	C[5,5a]-3:C[5a,6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,5a](C[5,5a]C[5a,6a]P[5])(C[5,6a]C[5,6a]C[6a])(S[5a]C[5a,6a])	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,5a](C[5,5a]C[5a,6a]P[5])(C[5,6a]C[5,6a]C[6a])(S[5a]C[5a,6a]){1|C<4>,1|H<1>,5|C<3>}	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|P<4>,4|C<3>}	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	128.8350	0.000	1	129.4013	0.353	4	131.8941	11.874	15	134.1088	9.398	38	134.1088	9.398	38	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,5a]-3:C[5,6a]-3:S[5a]-2:	C[5,5a]-3:C[5a,6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,5a](C[5,5a]C[5a,6a]P[5])(C[5,6a]C[5,6a]C[6a])(S[5a]C[5a,6a])	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,5a](C[5,5a]C[5a,6a]P[5])(C[5,6a]C[5,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,1|O<1>,5|C<3>}	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|P<4>,4|C<3>}	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	129.5900	0.562	3	129.4013	0.353	4	131.8941	11.874	15	134.1088	9.398	38	134.1088	9.398	38	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,5a]-3:C[5,6a]-3:S[5a]-2:	C[5,5a]-3:C[5a,6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,5a](C[5,5a]C[5a,6a]S[5])(C[5,6a]C[5,6a]C[6a])(S[5a]C[5a,6a])	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,5a](C[5,5a]C[5a,6a]S[5])(C[5,6a]C[5,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,2|O<1>,4|C<3>}	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|S<4>,4|C<3>}	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	132.3595	0.179	2	132.3595	0.032	2	131.8941	11.874	15	134.1088	9.398	38	134.1088	9.398	38	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,5a]-3:C[5,6a]-3:S[5a]-2:	C[5,5a]-3:C[5a,6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,5a](C[5,5a]C[5a,6a]Si[5])(C[5,6a]C[5,6a]C[6a])(S[5a]C[5a,6a])	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H)	C[5,5a](C[5,5a]C[5a,6a]Si[5])(C[5,6a]C[5,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,2|C<4>,4|C<3>}	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a]){1|Si<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H){1|Si<4>,1|H<1>,2|C<4>,3|C<3>}	126.6440	0.000	1	126.6440	0.000	1	131.8941	11.874	15	134.1088	9.398	38	134.1088	9.398	38	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,5a]-3:C[5,6a]-3:S[5a]-2:	C[5,5a]-3:C[5a,6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,5a](C[5,5a]C[5a,6a]Si[5])(C[5,6a]C[5,6a]C[6a])(S[5a]C[5a,6a])	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,5a](C[5,5a]C[5a,6a]Si[5])(C[5,6a]C[5,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,2|C<4>,4|C<3>}	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a]){1|Si<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	126.2090	0.000	1	126.2090	0.000	1	131.8941	11.874	15	134.1088	9.398	38	134.1088	9.398	38	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,5a]-3:C[5,6a]-3:S[5a]-2:	C[5a,5a]-3:C[5,5a]-3:	C[5,6a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5,5a](C[5,5a]C[5a,5a]C[5,6a])(C[5,6a]C[5,6a,6a]C[6a])(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5,5a]C[5,5a]C[5,6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]S[5a])(C[6a]C[6a]H)	C[5,5a](C[5,5a]C[5a,5a]C[5,6a])(C[5,6a]C[5,6a,6a]C[6a])(S[5a]C[5a,5a]){1|H<1>,5|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5,5a]C[5,5a]C[5,6a]){6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]S[5a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	136.3340	0.000	1	136.3340	0.000	1	136.3340	0.000	1	134.1088	9.398	38	134.1088	9.398	38	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5,5a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5,5a]C[5])(S[5a]C[5,5a])	S[5a](C[5,5a]C[5,5a]C[5,6a])2	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5,5a]C[5])(S[5a]C[5,5a]){1|C<4>,3|C<3>,3|H<1>}	S[5a](C[5,5a]C[5,5a]C[5,6a])2{2|C<4>,4|C<3>}	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,4|H<1>}	135.4190	0.000	2	135.4190	0.000	2	135.4190	0.000	2	134.1088	9.398	38	134.1088	9.398	38	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]2)	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(S[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]2){1|C<4>,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[5,6a]H){1|H<1>,3|C<3>,3|C<4>}	136.5190	0.000	1	136.5190	0.000	1	135.9917	1.620	12	134.1088	9.398	38	134.1088	9.398	38	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]2)	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(S[5a]C[5a]){2|H<1>,5|C<3>}	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]2){1|C<4>,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[6a]H){2|H<1>,5|C<3>}	136.1460	0.000	1	136.1460	0.000	1	135.9917	1.620	12	134.1088	9.398	38	134.1088	9.398	38	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]C)	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[5,5a](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>}	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]C){1|H<1>,3|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>}	138.1870	0.000	1	136.1325	1.894	4	135.9917	1.620	12	134.1088	9.398	38	134.1088	9.398	38	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]C)	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[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(S[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|H<1>,3|C<3>,3|C<4>}	135.4477	0.164	3	136.1325	1.894	4	135.9917	1.620	12	134.1088	9.398	38	134.1088	9.398	38	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]C)	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(S[5a]C[5a]){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O){1|O<2>,3|C<3>,3|C<4>}	136.1230	0.420	2	136.1230	0.176	2	135.9917	1.620	12	134.1088	9.398	38	134.1088	9.398	38	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]C)	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	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>}	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]C){1|H<1>,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>}	136.5690	0.000	1	136.5690	0.000	1	135.9917	1.620	12	134.1088	9.398	38	134.1088	9.398	38	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]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[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(S[5a]C[5a]){2|C<3>,2|C<4>,3|H<1>}	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|H<1>,3|C<3>,3|C<4>}	136.8650	0.000	1	136.8650	0.000	1	135.9917	1.620	12	134.1088	9.398	38	134.1088	9.398	38	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]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[5,5a](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>}	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]H){1|H<1>,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>,5|C<3>}	136.2560	0.000	1	136.2560	0.000	1	135.9917	1.620	12	134.1088	9.398	38	134.1088	9.398	38	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]S[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]C)	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]S[5])(S[5a]C[5a]){2|H<1>,2|O<1>,3|C<3>}	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]C){1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	132.7700	0.000	1	132.7700	0.000	1	135.9917	1.620	12	134.1088	9.398	38	134.1088	9.398	38	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,6a]-3:N[6a]-3:	C[5,5a](C[5,6a]C[5,6a]N[6a])(C[5,5a]C[5a]C[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]H)	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a,6a]C[5])(N[6a]C[6a]C)	C[5,5a](C[5,6a]C[5,6a]N[6a])(C[5,5a]C[5a]C[5])(S[5a]C[5a]){1|C<4>,3|C<3>,3|H<1>}	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a,6a]C[5])(N[6a]C[6a]C){1|H<1>,1|O<1>,5|C<3>}	139.5570	0.000	1	139.5570	0.000	1	139.5570	0.000	1	134.1088	9.398	38	134.1088	9.398	38	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,6,6a]-3:C[5a,6a]-3:C[5,5a]-3:	C[5,5a](C[5,6a]C[5,6,6a]C[5a,6a])(C[5,5a]C[5,6]C[5a])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5a,6a]C[5a,6a]C[5a])(C[5,5a]C[5,5a]S[5a])	C[5,5a](C[5,6a]C[5,6,6a]C[5a,6a])(C[5,5a]C[5,6]C[5a])(S[5a]C[5a]){2|H<1>,5|C<3>}	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5a,6a]C[5a,6a]C[5a])(C[5,5a]C[5,5a]S[5a]){1|C<4>,1|H<1>,1|S<2>,6|C<3>}	136.4580	0.000	1	136.4580	0.000	1	136.4580	0.000	1	134.1088	9.398	38	134.1088	9.398	38	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:3:	C[5,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5,6a]-3:C[5,5a]-3:	C[5a,5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]C[5,5a])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])	C[5a,5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a]){1|C<4>,1|S<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5,5a])2{2|S<2>,4|C<3>}	C[5,5a](C[5a,5a]C[5a,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]S[5a]C[5]){1|H<1>,2|C<4>,4|C<3>}	135.1360	0.045	2	135.1360	0.002	2	135.1360	0.002	2	135.1360	0.002	2	136.1978	0.329	12	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:4:	C[5,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5,5a]-3:C[5]-4:	C[5a,5a](C[5,5a]C[5,5a]C[5])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5,5a])(C[5a]C[5a]C)	C[5,5a](C[5a,5a]C[5a,5a]S[5a])(C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]C[6a]2)	C[5a,5a](C[5,5a]C[5,5a]C[5])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|H<1>,5|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5,5a])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5,5a](C[5a,5a]C[5a,5a]S[5a])(C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]C[6a]2){8|C<3>}	136.2815	0.325	4	136.2815	0.106	4	136.2815	0.106	4	136.4101	0.102	10	136.1978	0.329	12	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:4:	C[5,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5,5a]-3:P[5]-4:	C[5a,5a](C[5,5a]C[5,5a]P[5])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5,5a])(C[5a]C[5a]H)	C[5,5a](C[5a,5a]C[5a,5a]S[5a])(C[5,5a]C[5,5a]S[5a])(P[5]C[5,5a]C[6a]O)	C[5a,5a](C[5,5a]C[5,5a]P[5])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5,5a])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|P<4>,1|S<2>}	C[5,5a](C[5a,5a]C[5a,5a]S[5a])(C[5,5a]C[5,5a]S[5a])(P[5]C[5,5a]C[6a]O){1|S<2>,5|C<3>}	136.6552	0.245	4	136.6552	0.060	4	136.5648	0.086	5	136.4101	0.102	10	136.1978	0.329	12	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:4:	C[5,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5,5a]-3:P[5]-4:	C[5a,5a](C[5,5a]C[5,5a]P[5])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5,5a])(C[5a]C[5a]H)	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[5a,5a](C[5,5a]C[5,5a]P[5])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|O<1>,2|H<1>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5,5a])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|P<4>,1|S<2>}	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>}	136.2030	0.000	1	136.2030	0.000	1	136.5648	0.086	5	136.4101	0.102	10	136.1978	0.329	12	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:4:	C[5a,5a]-3:C[5,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5,5a]-3:S[5]-4:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5,5a]C[5,5a]S[5])(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]C[5,5a])(C[5a,5a]C[5a,5a]C[5a])	C[5,5a](C[5a,5a]C[5a,5a]S[5a])(C[5,5a]C[5,5a]S[5a])(S[5]C[5,5a]OO)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5,5a]C[5,5a]S[5])(S[5a]C[5a,5a]){1|S<2>,2|O<1>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5,5a])(C[5a,5a]C[5a,5a]C[5a]){1|H<1>,1|S<4>,2|C<3>,2|S<2>}	C[5,5a](C[5a,5a]C[5a,5a]S[5a])(C[5,5a]C[5,5a]S[5a])(S[5]C[5,5a]OO){1|S<2>,3|C<3>}	136.1510	0.000	1	136.1510	0.000	1	136.1510	0.000	1	136.4101	0.102	10	136.1978	0.329	12	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5,5a]S[5a])(S[5a]C[5,5a])	S[5a](C[5,5a]C[5,5a]C[5])(C[5a,5a]C[5a,5a]2)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5,5a]S[5a])(S[5a]C[5,5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5,5a]S[5a])(S[5a]C[5,5a]){1|C<4>,3|C<3>}	S[5a](C[5,5a]C[5,5a]C[5])(C[5a,5a]C[5a,5a]2){2|C<4>,2|S<2>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5,5a]S[5a])(S[5a]C[5,5a]){1|C<4>,3|C<3>}	135.6595	0.456	2	135.6595	0.208	2	135.6595	0.208	2	139.3645	12.709	158	139.0304	12.875	175	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5,5a]S[5a])(S[5a]C[5,5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5,5a]C[5,5a]2)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5,5a]S[5a])(S[5a]C[5,5a]){1|S<4>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5,5a]C[5,5a]2){1|S<4>,2|C<3>,3|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){2|C<3>,2|H<1>}	135.5210	0.000	1	135.5210	0.000	1	135.5210	0.000	1	139.3645	12.709	158	139.0304	12.875	175	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]2)2	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a]){1|C<4>,1|N<3>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)2{2|C<3>,2|N<3>,2|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	139.0948	1.381	4	139.1045	1.058	17	137.5180	4.738	28	139.3645	12.709	158	139.0304	12.875	175	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]2)2	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a]){1|C<4>,1|S<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)2{2|C<3>,2|N<3>,2|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	141.1860	0.000	1	139.1045	1.058	17	137.5180	4.738	28	139.3645	12.709	158	139.0304	12.875	175	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]2)2	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a]){1|N<3>,4|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)2{2|C<3>,2|N<3>,2|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a]){2|H<1>,3|C<3>}	138.9343	0.770	12	139.1045	1.058	17	137.5180	4.738	28	139.3645	12.709	158	139.0304	12.875	175	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])2(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]2)2	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])2(S[5a]C[5a,5a]){1|S<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)2{2|C<3>,4|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	134.7020	0.000	1	135.3004	0.259	5	137.5180	4.738	28	139.3645	12.709	158	139.0304	12.875	175	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])2(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]2)2	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])2(S[5a]C[5a,5a]){1|S<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)2{2|C<3>,4|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|Si<4>,1|H<1>,2|C<3>}	135.2700	0.316	3	135.3004	0.259	5	137.5180	4.738	28	139.3645	12.709	158	139.0304	12.875	175	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])2(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]2)2	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])2(S[5a]C[5a,5a]){1|S<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)2{2|C<3>,4|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){2|C<3>,2|H<1>}	135.9900	0.000	1	135.3004	0.259	5	137.5180	4.738	28	139.3645	12.709	158	139.0304	12.875	175	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])2(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]2)2	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])2(S[5a]C[5a,5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])2(S[5a]C[5a,5a]){1|S<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)2{2|C<3>,4|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])2(S[5a]C[5a,5a]){1|S<2>,3|C<3>}	134.9522	0.253	4	134.9522	0.064	4	137.5180	4.738	28	139.3645	12.709	158	139.0304	12.875	175	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])2(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])2(S[5a]C[5a,5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])2(S[5a]C[5a,5a]){1|S<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2){1|H<1>,2|C<3>,3|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])2(S[5a]C[5a,5a]){1|S<2>,3|C<3>}	134.7085	0.518	2	134.7085	0.269	2	137.5180	4.738	28	139.3645	12.709	158	139.0304	12.875	175	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]Br)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a]){1|Br<1>,1|H<1>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]Br){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a]){1|Br<1>,1|H<1>,3|C<3>}	140.5525	0.641	2	140.5525	0.411	2	139.9556	13.849	114	139.3645	12.709	158	139.0304	12.875	175	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]C)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a]){1|H<1>,4|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]C){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a]){1|H<1>,4|C<3>}	141.7177	0.447	4	141.7177	0.200	4	139.9556	13.849	114	139.3645	12.709	158	139.0304	12.875	175	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]C[6a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a]){1|H<1>,4|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]C[6a]){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a]){1|H<1>,4|C<3>}	141.9330	0.182	2	141.9330	0.033	2	139.9556	13.849	114	139.3645	12.709	158	139.0304	12.875	175	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a]){1|C<4>,1|N<3>,3|C<3>}	142.3533	0.966	4	142.0901	0.309	16	139.9556	13.849	114	139.3645	12.709	158	139.0304	12.875	175	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a]){1|C<4>,1|S<2>,3|C<3>}	142.4770	0.000	1	142.0901	0.309	16	139.9556	13.849	114	139.3645	12.709	158	139.0304	12.875	175	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a]){1|N<3>,4|C<3>}	141.9592	0.349	11	142.0901	0.309	16	139.9556	13.849	114	139.3645	12.709	158	139.0304	12.875	175	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a]){2|H<1>,3|C<3>}	141.4292	0.611	8	141.4292	0.373	8	139.9556	13.849	114	139.3645	12.709	158	139.0304	12.875	175	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]O[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,6a]O[5a])(S[5a]C[5a,6a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]O[5a])(S[5a]C[5a]){2|C<3>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|O<2>,1|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,6a]O[5a])(S[5a]C[5a,6a]){4|C<3>}	143.8640	0.000	1	143.8640	0.000	1	139.9556	13.849	114	139.3645	12.709	158	139.0304	12.875	175	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]2)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|H<1>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]2){1|H<1>,2|C<3>,3|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a]){4|C<3>}	136.3010	0.116	2	136.3010	0.013	2	139.9556	13.849	114	139.3645	12.709	158	139.0304	12.875	175	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]2)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|H<1>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]2){1|H<1>,2|C<3>,3|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|H<1>,3|C<3>}	136.4898	0.116	4	136.6603	0.124	7	139.9556	13.849	114	139.3645	12.709	158	139.0304	12.875	175	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]2)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|H<1>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]2){1|H<1>,2|C<3>,3|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){2|C<3>,2|H<1>}	136.8877	0.464	3	136.6603	0.124	7	139.9556	13.849	114	139.3645	12.709	158	139.0304	12.875	175	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]Br)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|Br<1>,1|H<1>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]Br){1|C<3>,1|H<1>,2|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|C<2>,1|H<1>,2|C<3>}	136.3270	0.000	1	136.1920	0.059	5	139.9556	13.849	114	139.3645	12.709	158	139.0304	12.875	175	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]Br)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|Br<1>,1|Si<4>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]Br){1|Si<4>,1|C<3>,2|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|Br<1>,1|Si<4>,2|C<3>}	136.1583	0.267	4	136.1920	0.059	5	139.9556	13.849	114	139.3645	12.709	158	139.0304	12.875	175	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]C)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|C<2>,1|H<1>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]C){1|C<3>,1|H<1>,2|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|Br<1>,1|H<1>,2|C<3>}	135.7260	0.000	1	135.9297	3.909	20	139.9556	13.849	114	139.3645	12.709	158	139.0304	12.875	175	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]C)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]C){1|C<3>,1|H<1>,2|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|C<4>,3|C<3>}	137.5015	0.692	2	135.9297	3.909	20	139.9556	13.849	114	139.3645	12.709	158	139.0304	12.875	175	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]C)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|C<4>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]C){2|C<3>,2|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	135.7920	0.008	2	135.9297	3.909	20	139.9556	13.849	114	139.3645	12.709	158	139.0304	12.875	175	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]C)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|H<1>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]C){1|C<3>,1|H<1>,2|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|H<1>,3|C<3>}	135.6758	2.477	12	135.9297	3.909	20	139.9556	13.849	114	139.3645	12.709	158	139.0304	12.875	175	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]C)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|H<1>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]C){1|C<3>,1|H<1>,2|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){2|C<3>,2|H<1>}	136.0573	0.480	3	135.9297	3.909	20	139.9556	13.849	114	139.3645	12.709	158	139.0304	12.875	175	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]C[6a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|H<1>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]C[6a]){1|H<1>,2|S<2>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|H<1>,3|C<3>}	137.2230	0.259	2	137.2230	0.067	2	139.9556	13.849	114	139.3645	12.709	158	139.0304	12.875	175	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5,5a]S[5a])(S[5a]C[5,5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){2|C<3>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,2|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5,5a]S[5a])(S[5a]C[5,5a]){1|S<4>,3|C<3>}	137.2500	0.000	1	137.2500	0.000	1	139.9556	13.849	114	139.3645	12.709	158	139.0304	12.875	175	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|H<1>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]H){2|C<3>,2|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){2|C<3>,2|H<1>}	136.5150	0.000	1	136.8639	0.090	8	139.9556	13.849	114	139.3645	12.709	158	139.0304	12.875	175	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){2|C<3>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,2|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|H<1>,3|C<3>}	136.9137	0.285	7	136.8639	0.090	8	139.9556	13.849	114	139.3645	12.709	158	139.0304	12.875	175	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])2(S[5a]C[5a,5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]H){1|C<3>,1|C<4>,2|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])2(S[5a]C[5a,5a]){1|S<2>,3|C<3>}	136.6910	0.000	1	137.0790	0.301	2	139.9556	13.849	114	139.3645	12.709	158	139.0304	12.875	175	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])2(S[5a]C[5a,5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){2|C<3>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,2|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])2(S[5a]C[5a,5a]){1|S<2>,3|C<3>}	137.4670	0.000	1	137.0790	0.301	2	139.9556	13.849	114	139.3645	12.709	158	139.0304	12.875	175	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]I)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|H<1>,1|I<1>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]I){1|C<3>,1|H<1>,2|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|H<1>,1|I<1>,2|C<3>}	137.0630	0.317	2	137.0630	0.100	2	139.9556	13.849	114	139.3645	12.709	158	139.0304	12.875	175	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]Si)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|Si<4>,1|H<1>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]Si){1|C<3>,1|H<1>,2|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a]){4|C<3>}	137.6125	0.385	2	137.6125	0.149	2	139.9556	13.849	114	139.3645	12.709	158	139.0304	12.875	175	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]Si)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|Si<4>,1|H<1>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]Si){1|C<3>,1|H<1>,2|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|Si<4>,1|H<1>,2|C<3>}	137.2980	0.190	2	137.2980	0.036	2	139.9556	13.849	114	139.3645	12.709	158	139.0304	12.875	175	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]Si)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])2(S[5a]C[5a,5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|Si<4>,1|H<1>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]Si){1|C<3>,1|H<1>,2|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])2(S[5a]C[5a,5a]){1|S<2>,3|C<3>}	137.4317	0.314	3	137.4317	0.099	3	139.9556	13.849	114	139.3645	12.709	158	139.0304	12.875	175	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]N[5a]2)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]N[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]N[5a]2)(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]N[5a]2)(S[5a]C[5a]){1|N<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]N[5a]){1|C<3>,1|N<2>,1|N<3>,2|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]N[5a]2)(S[5a]C[5a]){1|Si<4>,1|N<2>,2|C<3>}	144.9860	0.000	1	144.9860	0.000	1	139.9556	13.849	114	139.3645	12.709	158	139.0304	12.875	175	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]N[5a]2)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]N[5a]Br)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]N[5a]2)(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]N[5a]2)(S[5a]C[5a]){1|Br<1>,1|C<3>,1|C<4>,1|N<2>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]N[5a]Br){1|C<3>,1|N<3>,1|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]N[5a]2)(S[5a]C[5a]){1|Br<1>,1|C<3>,1|C<4>,1|N<2>}	145.6535	0.040	2	145.6535	0.002	2	139.9556	13.849	114	139.3645	12.709	158	139.0304	12.875	175	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]N[5a]2)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]N[5a]C)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]N[5a]2)(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]N[5a]2)(S[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]N[5a]C){1|C<3>,1|N<3>,1|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]N[5a]2)(S[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>}	145.0141	0.334	7	145.0141	0.112	7	139.9556	13.849	114	139.3645	12.709	158	139.0304	12.875	175	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]N[5a]2)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]N[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]N[5a]2)(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]N[5a]2)(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]N[5a]H){1|C<3>,1|N<3>,1|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]N[5a]2)(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	145.4837	0.159	4	145.4837	0.025	4	139.9556	13.849	114	139.3645	12.709	158	139.0304	12.875	175	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]N[5a]2)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]N[5a]Si)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]N[5a]2)(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]N[5a]2)(S[5a]C[5a]){1|Si<4>,1|C<3>,1|C<4>,1|N<2>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]N[5a]Si){1|C<3>,1|N<3>,1|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]N[5a]2)(S[5a]C[5a]){1|Si<4>,1|C<3>,1|C<4>,1|N<2>}	145.0273	0.728	10	145.0220	0.477	11	139.9556	13.849	114	139.3645	12.709	158	139.0304	12.875	175	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]N[5a]2)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]N[5a]Si)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]N[5a]2)(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]N[5a]2)(S[5a]C[5a]){1|Si<4>,1|N<2>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]N[5a]Si){1|C<3>,1|N<3>,1|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]N[5a]2)(S[5a]C[5a]){1|N<2>,3|C<3>}	144.9690	0.000	1	145.0220	0.477	11	139.9556	13.849	114	139.3645	12.709	158	139.0304	12.875	175	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,6a]N[5a])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,6a]N[5a])(S[5a]C[5a,6a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,6a]N[5a])(S[5a]C[5a,6a]){1|C<4>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,6a]N[5a])(S[5a]C[5a,6a]){1|C<4>,4|C<3>}	140.9750	0.738	2	140.7815	0.225	8	139.0236	10.269	13	139.3645	12.709	158	139.0304	12.875	175	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,6a]N[5a])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,6a]N[5a])(S[5a]C[5a,6a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,6a]N[5a])(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,6a]N[5a])(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	140.5023	0.347	4	140.7815	0.225	8	139.0236	10.269	13	139.3645	12.709	158	139.0304	12.875	175	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,6a]N[5a])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,6a]N[5a])(S[5a]C[5a,6a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,6a]N[5a])(S[5a]C[5a,6a]){5|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,6a]N[5a])(S[5a]C[5a,6a]){5|C<3>}	141.1465	0.121	2	140.7815	0.225	8	139.0236	10.269	13	139.3645	12.709	158	139.0304	12.875	175	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,6a]O[5a])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]O[5a])(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,6a]O[5a])(S[5a]C[5a,6a]){4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2){1|H<1>,1|O<2>,1|S<2>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]O[5a])(S[5a]C[5a]){2|C<3>,2|H<1>}	142.8530	0.000	1	142.8530	0.000	1	139.0236	10.269	13	139.3645	12.709	158	139.0304	12.875	175	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a]){4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2){1|H<1>,2|S<2>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|H<1>,3|C<3>}	135.0100	0.532	2	134.5505	0.743	4	139.0236	10.269	13	139.3645	12.709	158	139.0304	12.875	175	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a]){4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2){1|H<1>,2|S<2>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|Si<4>,1|H<1>,2|C<3>}	134.0910	1.049	2	134.5505	0.743	4	139.0236	10.269	13	139.3645	12.709	158	139.0304	12.875	175	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,5a]2)(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,5a]2)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,5a]2)(C[5a,5a]S[5a]2)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,5a]2)(S[5a]C[5a,5a]){2|S<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,5a]2){1|S<2>,4|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,5a]2)(C[5a,5a]S[5a]2){2|S<2>,3|C<3>}	134.6700	0.141	2	134.6700	0.020	2	134.6700	0.020	2	135.9258	3.967	17	139.0304	12.875	175	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,5a]2)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]S[5a]2)(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a]){1|H<1>,2|C<3>,2|S<2>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,5a]2){1|S<2>,4|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]S[5a]2)(C[5a]C[5a]H){1|Si<4>,2|C<3>}	133.4355	0.170	2	133.4355	0.029	2	133.4355	0.029	2	135.9258	3.967	17	139.0304	12.875	175	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a,5a]C[5a,5a]2)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]Si)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,5a]2)(C[5a,5a]S[5a]2)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a,5a]C[5a,5a]2)(S[5a]C[5a]){1|Si<4>,1|H<1>,1|S<2>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]Si){1|H<1>,1|S<2>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,5a]2)(C[5a,5a]S[5a]2){1|S<2>,4|C<3>}	137.7155	0.370	2	137.7155	0.137	2	137.7155	0.137	2	135.9258	3.967	17	139.0304	12.875	175	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]Br)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(C[5a]S[5a]Si)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|Br<1>,1|Si<4>,1|C<3>,1|H<1>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]Br){1|H<1>,1|S<2>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(C[5a]S[5a]Si){1|Si<4>,2|C<3>}	135.2480	0.000	1	135.2480	0.000	1	135.8522	0.945	4	135.9258	3.967	17	139.0304	12.875	175	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(C[5a]S[5a]Si)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|Si<4>,1|C<3>,1|S<2>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(C[5a]S[5a]Si){1|Si<4>,2|C<3>}	134.9550	0.000	1	134.9550	0.000	1	135.8522	0.945	4	135.9258	3.967	17	139.0304	12.875	175	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]S[5a]2)(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|Br<1>,1|C<3>,1|S<2>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]H){1|Br<1>,1|S<2>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]S[5a]2)(C[5a]C[5a]H){1|Si<4>,2|C<3>}	137.1210	0.000	1	137.1210	0.000	1	135.8522	0.945	4	135.9258	3.967	17	139.0304	12.875	175	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]Si)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]S[5a]2)(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|Si<4>,1|C<3>,1|S<2>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]Si){1|H<1>,1|S<2>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]S[5a]2)(C[5a]C[5a]H){1|Br<1>,2|C<3>}	136.0850	0.000	1	136.0850	0.000	1	135.8522	0.945	4	135.9258	3.967	17	139.0304	12.875	175	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:N[5a,6]-3:	C[5a,5a](C[5a,5a]C[5a,5a]N[5a,6])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(N[5a,6]C[5a,6]B[6])	C[5a,5a](C[5a,5a]C[5a,5a]N[5a,6])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|B<4>,2|C<3>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(N[5a,6]C[5a,6]B[6]){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	137.4200	0.806	2	137.4200	0.650	2	137.4200	0.650	2	135.9258	3.967	17	139.0304	12.875	175	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]S[5a]2)(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a]){1|H<1>,1|S<2>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2){1|H<1>,1|S<2>,4|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]S[5a]2)(C[5a]C[5a]H){1|Si<4>,2|C<3>}	133.2010	0.356	2	133.2010	0.127	2	133.2010	0.127	2	135.9258	3.967	17	139.0304	12.875	175	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:N[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,6a]S[5a])(N[5a]C[5a,6a]C)	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a]){1|C<4>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,6a]S[5a])(N[5a]C[5a,6a]C){4|C<3>}	136.7180	0.000	1	136.7180	0.000	1	136.7180	0.000	1	135.9258	3.967	17	139.0304	12.875	175	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[5a,5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,6a]N[5a])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,6a]N[5a])(S[5a]C[5a,6a]){1|C<4>,1|S<2>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2){1|H<1>,1|N<3>,4|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a]){1|C<4>,1|H<1>,4|C<3>}	139.3610	0.000	1	138.8635	0.495	2	138.8635	0.495	2	135.9258	3.967	17	139.0304	12.875	175	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[5a,5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,6a]N[5a])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,6a]N[5a])(S[5a]C[5a,6a]){1|S<2>,5|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2){1|H<1>,1|N<3>,4|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a]){1|H<1>,5|C<3>}	138.3660	0.000	1	138.8635	0.495	2	138.8635	0.495	2	135.9258	3.967	17	139.0304	12.875	175	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,6]	3:3:2:	3:2:	3:3:2:	C[5a,5a]-3:C[5a,6]-3:S[5a]-2:	C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,6]-3:S[6]-2:	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a,6]C[5a,6]S[6])(S[5a]S[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a,6])(S[5a]C[5a])	C[5a,6](C[5a,5a]C[5a,5a]S[5a])(C[5a,6]N[5a]C[6])(S[6]C[6])	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a,6]C[5a,6]S[6])(S[5a]S[5a]){1|C<3>,1|O<1>,2|C<4>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6])(S[5a]C[5a]){1|C<3>,1|N<3>,1|O<1>,1|S<2>}	C[5a,6](C[5a,5a]C[5a,5a]S[5a])(C[5a,6]N[5a]C[6])(S[6]C[6]){1|C<4>,1|O<2>,1|S<1>,2|C<3>,2|S<2>}	133.2125	0.066	2	133.2125	0.004	2	133.2125	0.004	2	133.2125	0.004	2	135.8758	6.080	5	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:3:4:	N[5a,5a]-3:C[5a,6]-3:S[5a]-2:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,5a]-3:C[5a,6]-3:C[6]-4:	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6]C[6])(S[5a]C[5a,6a])	S[5a](C[5a,5a]N[5a,5a]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6](C[5a,5a]N[5a,5a]S[5a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6a]O[6]H)	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6]C[6])(S[5a]C[5a,6a]){1|H<1>,1|O<2>,5|C<3>}	S[5a](C[5a,5a]N[5a,5a]C[5a,6])(C[5a,6a]C[5a,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[5a,6](C[5a,5a]N[5a,5a]S[5a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6a]O[6]H){7|C<3>}	137.6513	0.579	3	137.6513	0.335	3	137.6513	0.335	3	137.6513	0.335	3	135.8758	6.080	5	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])2	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,5a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])2{2|N<3>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	137.0273	0.422	6	137.1712	0.409	9	135.8785	3.748	14	134.7490	7.949	119	134.7490	7.949	119	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])2	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,5a]){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])2{1|N<3>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	138.6030	0.000	1	137.1712	0.409	9	135.8785	3.748	14	134.7490	7.949	119	134.7490	7.949	119	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])2	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,5a]){1|H<1>,1|N<3>,4|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])2{2|N<3>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	136.8870	0.208	2	137.1712	0.409	9	135.8785	3.748	14	134.7490	7.949	119	134.7490	7.949	119	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,5a]C[5a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,5a]){1|H<1>,1|S<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,5a]C[5a]){1|H<1>,2|S<2>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	133.7815	0.838	2	133.7815	0.702	2	135.8785	3.748	14	134.7490	7.949	119	134.7490	7.949	119	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])2	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,5a]){1|H<1>,1|N<3>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])2{1|N<3>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	132.1760	0.000	1	133.3983	1.234	3	135.8785	3.748	14	134.7490	7.949	119	134.7490	7.949	119	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])2	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,5a]){1|H<1>,1|S<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])2{2|S<2>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	134.0095	0.476	2	133.3983	1.234	3	135.8785	3.748	14	134.7490	7.949	119	134.7490	7.949	119	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a,6a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]2)(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,5a]C[5a])	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]2)(S[5a]C[5a,5a]){1|S<2>,4|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,5a]C[5a]){1|H<1>,2|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a]){1|H<1>,2|S<2>,4|C<3>}	134.1040	0.143	2	134.1040	0.020	2	134.1333	0.280	4	134.7490	7.949	119	134.7490	7.949	119	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a,6a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]2)(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,5a]S[5a])	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]2)(S[5a]C[5a,5a]){1|S<2>,4|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,5a]S[5a]){1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a]){1|H<1>,2|S<2>,4|C<3>}	134.1625	0.903	2	134.1625	0.815	2	134.1333	0.280	4	134.7490	7.949	119	134.7490	7.949	119	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a](C[5a,5a]C[5a,6a]O[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,5a](C[5a,5a]C[5a,6a]O[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	140.9120	0.000	1	140.4095	1.015	4	133.3729	3.438	72	134.7490	7.949	119	134.7490	7.949	119	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a](C[5a,5a]C[5a,6a]O[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,5a](C[5a,5a]C[5a,6a]O[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	140.2420	1.164	3	140.4095	1.015	4	133.3729	3.438	72	134.7490	7.949	119	134.7490	7.949	119	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|H<1>,1|S<2>,3|C<3>}	132.9090	0.651	2	133.2851	0.368	8	133.3729	3.438	72	134.7490	7.949	119	134.7490	7.949	119	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|H<1>,4|C<3>}	133.4105	0.596	6	133.2851	0.368	8	133.3729	3.438	72	134.7490	7.949	119	134.7490	7.949	119	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H){1|H<1>,4|C<3>}	132.5367	0.618	13	132.5367	0.382	13	133.3729	3.438	72	134.7490	7.949	119	134.7490	7.949	119	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	132.9980	0.578	2	133.0203	0.454	47	133.3729	3.438	72	134.7490	7.949	119	134.7490	7.949	119	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	132.7500	0.000	1	133.0203	0.454	47	133.3729	3.438	72	134.7490	7.949	119	134.7490	7.949	119	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	133.0296	0.698	43	133.0203	0.454	47	133.3729	3.438	72	134.7490	7.949	119	134.7490	7.949	119	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|S<2>,5|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	132.9330	0.000	1	133.0203	0.454	47	133.3729	3.438	72	134.7490	7.949	119	134.7490	7.949	119	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a,6a]C[5a,6a]2)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]N[5a])2	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a,6a]C[5a,6a]2)(S[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]N[5a])2{1|C<4>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	140.9020	0.932	3	140.8499	0.321	9	140.8499	0.321	9	134.7490	7.949	119	134.7490	7.949	119	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a,6a]C[5a,6a]2)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]N[5a])2	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a,6a]C[5a,6a]2)(S[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]N[5a])2{1|C<4>,1|N<2>,2|N<3>,3|C<3>}	140.6925	0.245	2	140.8499	0.321	9	140.8499	0.321	9	134.7490	7.949	119	134.7490	7.949	119	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a,6a]C[5a,6a]2)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]N[5a])2	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a,6a]C[5a,6a]2)(S[5a]C[5a]){1|N<2>,2|C<3>,3|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]N[5a])2{1|H<1>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	140.5670	0.519	2	140.8499	0.321	9	140.8499	0.321	9	134.7490	7.949	119	134.7490	7.949	119	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a,6a]C[5a,6a]2)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]N[5a])2	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a,6a]C[5a,6a]2)(S[5a]C[5a]){1|N<2>,2|C<3>,3|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]N[5a])2{1|H<1>,1|N<2>,2|N<3>,3|C<3>}	141.2120	0.150	2	140.8499	0.321	9	140.8499	0.321	9	134.7490	7.949	119	134.7490	7.949	119	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5,5a]-3:	C[5a,6a,6a]-3:C[5a,5a]-3:C[6a]-3:	C[5a,5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,5a]C[5a,6a]C[5,5a])(S[5a]C[5,5a])	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5,5a]C[5,5a]C[5,6a])	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,5a]S[5a])(C[6a]C[6a]H)	C[5a,5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,5a]C[5a,6a]C[5,5a])(S[5a]C[5,5a]){1|H<1>,5|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5,5a]C[5,5a]C[5,6a]){6|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,5a]S[5a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	136.6010	0.000	1	136.6010	0.000	1	136.6010	0.000	1	134.7490	7.949	119	134.7490	7.949	119	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[5,6a]-3:	C[5a,5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])	C[5a,5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5]){1|Se<2>,1|C<4>,1|N<2>,1|N<3>,3|C<3>}	140.9730	0.247	2	140.9730	0.061	2	140.9730	0.061	2	134.7490	7.949	119	134.7490	7.949	119	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]2)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]2)(S[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H){1|H<1>,1|N<2>,4|C<3>}	137.1550	0.000	1	137.1550	0.000	1	135.7206	3.374	17	134.7490	7.949	119	134.7490	7.949	119	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]2)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]2)(S[5a]C[5a]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,1|O<1>,4|C<3>}	136.6210	0.000	1	136.6210	0.000	1	135.7206	3.374	17	134.7490	7.949	119	134.7490	7.949	119	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]2)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]2)(S[5a]C[5a]){3|C<3>,3|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H){1|H<1>,5|C<3>}	138.5610	0.000	2	138.5610	0.000	2	135.7206	3.374	17	134.7490	7.949	119	134.7490	7.949	119	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	140.1380	0.000	1	140.1380	0.000	1	135.7206	3.374	17	134.7490	7.949	119	134.7490	7.949	119	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]Br)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]Br){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C){1|C<4>,1|S<2>,3|C<3>}	135.5090	0.075	2	135.5090	0.006	2	135.7206	3.374	17	134.7490	7.949	119	134.7490	7.949	119	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]C){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	134.6560	0.000	1	134.6560	0.000	1	135.7206	3.374	17	134.7490	7.949	119	134.7490	7.949	119	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|H<1>,1|S<2>,3|C<3>}	134.2550	0.000	1	134.2550	0.000	1	135.7206	3.374	17	134.7490	7.949	119	134.7490	7.949	119	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|C<2>,2|C<3>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C){1|C<2>,1|S<2>,3|C<3>}	134.6000	0.000	1	134.6000	0.000	1	135.7206	3.374	17	134.7490	7.949	119	134.7490	7.949	119	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){2|C<3>,3|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|H<1>,1|S<2>,3|C<3>}	134.2490	0.120	4	134.2490	0.014	4	135.7206	3.374	17	134.7490	7.949	119	134.7490	7.949	119	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]O)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]O){1|O<2>,1|S<2>,3|C<3>}	134.7705	0.047	2	134.7705	0.002	2	135.7206	3.374	17	134.7490	7.949	119	134.7490	7.949	119	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]N[6])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a,6a]S[5a])(C[6a]N[6a]C)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]N[6]){1|H<1>,1|S<2>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a,6a]S[5a])(C[6a]N[6a]C){4|C<3>}	135.1490	0.000	1	135.1490	0.000	1	135.7206	3.374	17	134.7490	7.949	119	134.7490	7.949	119	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:2:1:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:S[5a]-2:H-1:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(C[5a]S[5a]H)	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]S[5a])	C[5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a])(H)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(C[5a]S[5a]H){1|C<3>,1|H<1>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]S[5a]){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a])(H){1|H<1>,2|C<3>}	134.8210	0.000	1	134.8210	0.000	1	134.8210	0.000	1	134.8210	0.000	1	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:2:4:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:S[5a]-2:Si-4:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(C[5a]S[5a]Si)	S[5a](C[5a,5a]C[5a,5a]C[5a])2	C[5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a])(SiC3)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(C[5a]S[5a]Si){1|Si<4>,1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]C[5a])2{1|Si<4>,1|H<1>,2|C<3>,2|S<2>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a])(SiC3){1|Si<4>,2|C<3>}	131.6285	0.784	2	131.6285	0.615	2	131.6285	0.615	2	131.6285	0.615	2	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5,5a]S[5a])(S[5a]C[5,5a])(C[5a]C[5a]H)	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,5a]C[5a,5a]C[5a])	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(H)	C[5a,5a](C[5a,5a]C[5,5a]S[5a])(S[5a]C[5,5a])(C[5a]C[5a]H){1|C<4>,2|C<3>}	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,5a]C[5a,5a]C[5a]){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(H){2|C<3>}	134.4402	0.545	4	134.4402	0.297	4	134.4402	0.297	4	133.7761	1.879	79	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a]-3:C[5,5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5,5a]S[5a])(S[5a]C[5,5a])(C[5a]C[5a]H)	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5,5a]C[5,5a]C[5])	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(H)	C[5a,5a](C[5a,5a]C[5,5a]S[5a])(S[5a]C[5,5a])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|P<4>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5,5a]C[5,5a]C[5]){1|H<1>,1|P<4>,1|S<2>,3|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(H){2|C<3>}	135.3110	0.000	1	135.3110	0.000	1	135.3110	0.000	1	133.7761	1.879	79	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a]-3:Br-1:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]Br)	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]S[5a])	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(Br)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]Br){1|C<3>,1|H<1>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]S[5a]){1|Br<1>,1|S<2>,3|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(Br){2|C<3>}	134.7780	0.000	1	134.7780	0.000	1	134.7780	0.000	1	133.7761	1.879	79	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H)	S[5a](C[5a,5a]C[5a,5a]C[5,5a])(C[5a,5a]C[5a,5a]C[5a])	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]C[5,5a])(C[5a,5a]C[5a,5a]C[5a]){1|H<1>,1|S<4>,2|C<3>,2|S<2>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(H){2|C<3>}	133.3560	0.000	1	133.3560	0.000	1	133.4926	0.772	59	133.7761	1.879	79	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H)	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,5a]C[5a])	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]S[5a])(H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H){1|S<2>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,5a]C[5a]){1|H<1>,2|S<2>,3|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]S[5a])(H){1|S<2>,3|C<3>}	134.3820	0.996	2	134.3820	0.991	2	133.4926	0.772	59	133.7761	1.879	79	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H)	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,5a]C[5a])	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]Si)(H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H){1|Si<4>,1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,5a]C[5a]){1|H<1>,2|S<2>,3|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]Si)(H){2|C<3>}	134.0530	0.110	2	134.0530	0.012	2	133.4926	0.772	59	133.7761	1.879	79	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H)	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2){1|H<1>,2|C<3>,3|S<2>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(H){2|C<3>}	133.0910	0.000	1	133.0910	0.000	1	133.4926	0.772	59	133.7761	1.879	79	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H)	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]Si)(H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H){1|Si<4>,1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2){1|H<1>,2|C<3>,3|S<2>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]Si)(H){2|C<3>}	133.3317	0.151	3	133.3317	0.023	3	133.4926	0.772	59	133.7761	1.879	79	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H)	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]S[5a])	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]Si)(H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H){1|Si<4>,1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]S[5a]){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]Si)(H){2|C<3>}	132.6657	0.561	3	132.6657	0.315	3	133.4926	0.772	59	133.7761	1.879	79	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H)	S[5a](C[5a,5a]C[5a,5a]C[5a])2	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]S[5a])(H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H){1|S<2>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])2{2|C<3>,2|H<1>,2|S<2>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]S[5a])(H){1|S<2>,3|C<3>}	133.4726	0.538	7	133.4726	0.290	7	133.4926	0.772	59	133.7761	1.879	79	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H)	S[5a](C[5a,5a]C[5a,5a]C[5a])2	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[6a]S[5a])(H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H){1|S<2>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])2{2|C<3>,2|H<1>,2|S<2>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[6a]S[5a])(H){4|C<3>}	133.2082	0.934	5	133.2082	0.872	5	133.4926	0.772	59	133.7761	1.879	79	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H)	S[5a](C[5a,5a]C[5a,5a]C[5a])2	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]Br)(H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H){1|Br<1>,1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]C[5a])2{2|C<3>,2|H<1>,2|S<2>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]Br)(H){2|C<3>}	133.5520	0.000	1	132.8910	0.874	2	133.4926	0.772	59	133.7761	1.879	79	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H)	S[5a](C[5a,5a]C[5a,5a]C[5a])2	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]Br)(H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H){1|Br<1>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])2{1|Si<4>,1|H<1>,2|C<3>,2|S<2>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]Br)(H){2|C<3>}	132.2300	0.000	1	132.8910	0.874	2	133.4926	0.772	59	133.7761	1.879	79	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H)	S[5a](C[5a,5a]C[5a,5a]C[5a])2	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H){1|C<2>,1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]C[5a])2{2|C<3>,2|H<1>,2|S<2>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(H){2|C<3>}	134.0840	0.000	1	133.5528	1.005	19	133.4926	0.772	59	133.7761	1.879	79	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H)	S[5a](C[5a,5a]C[5a,5a]C[5a])2	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]C[5a])2{1|H<1>,2|S<2>,3|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(H){2|C<3>}	133.2675	0.094	2	133.5528	1.005	19	133.4926	0.772	59	133.7761	1.879	79	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H)	S[5a](C[5a,5a]C[5a,5a]C[5a])2	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H){1|S<2>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])2{2|C<3>,2|H<1>,2|S<2>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(H){2|C<3>}	133.5553	1.084	16	133.5528	1.005	19	133.4926	0.772	59	133.7761	1.879	79	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H)	S[5a](C[5a,5a]C[5a,5a]C[5a])2	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])2{1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(H){2|C<3>}	132.4745	0.295	2	133.4719	0.972	10	133.4926	0.772	59	133.7761	1.879	79	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H)	S[5a](C[5a,5a]C[5a,5a]C[5a])2	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]C[5a])2{1|H<1>,2|S<2>,3|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(H){2|C<3>}	134.7460	0.000	1	133.4719	0.972	10	133.4926	0.772	59	133.7761	1.879	79	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H)	S[5a](C[5a,5a]C[5a,5a]C[5a])2	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]C[5a])2{2|C<3>,2|H<1>,2|S<2>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(H){2|C<3>}	133.8578	0.567	6	133.4719	0.972	10	133.4926	0.772	59	133.7761	1.879	79	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H)	S[5a](C[5a,5a]C[5a,5a]C[5a])2	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H){1|H<1>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])2{1|Si<4>,1|H<1>,2|C<3>,2|S<2>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(H){2|C<3>}	131.8770	0.000	1	133.4719	0.972	10	133.4926	0.772	59	133.7761	1.879	79	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H)	S[5a](C[5a,5a]C[5a,5a]C[5a])2	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]I)(H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H){1|C<3>,1|I<1>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]C[5a])2{2|C<3>,2|H<1>,2|S<2>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]I)(H){2|C<3>}	134.2320	1.665	2	134.2320	2.771	2	133.4926	0.772	59	133.7761	1.879	79	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H)	S[5a](C[5a,5a]C[5a,5a]C[5a])2	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]Si)(H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H){1|Si<4>,1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]C[5a])2{2|C<3>,2|H<1>,2|S<2>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]Si)(H){2|C<3>}	133.9685	0.357	2	133.9685	0.128	2	133.4926	0.772	59	133.7761	1.879	79	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(S[5a]C[5a,6a])(C[5a]C[5a]H)	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]N[5a]C)(H)	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(S[5a]C[5a,6a])(C[5a]C[5a]H){4|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]N[5a]C)(H){3|C<3>}	137.3820	0.000	1	137.3820	0.000	1	134.1186	1.445	12	133.7761	1.879	79	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a])(C[5a]C[5a]H)	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]Br)(H)	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a])(C[5a]C[5a]H){1|Br<1>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2){1|H<1>,2|S<2>,3|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]Br)(H){2|C<3>}	132.8980	0.648	2	132.8980	0.420	2	134.1186	1.445	12	133.7761	1.879	79	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a])(C[5a]C[5a]H)	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[6a]S[5a])(H)	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a])(C[5a]C[5a]H){3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a]){1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[6a]S[5a])(H){4|C<3>}	133.7280	0.000	1	133.7280	0.000	1	134.1186	1.445	12	133.7761	1.879	79	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a])(C[5a]C[5a]H)	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(H)	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a])(C[5a]C[5a]H){3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a]){1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(H){2|C<3>}	133.6780	0.000	1	133.6780	0.000	1	134.1186	1.445	12	133.7761	1.879	79	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a])(C[5a]C[5a]H)	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(H)	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a])(C[5a]C[5a]H){1|H<1>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a]){1|C<2>,1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(H){2|C<3>}	133.9990	0.000	1	134.1199	0.250	7	134.1186	1.445	12	133.7761	1.879	79	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a])(C[5a]C[5a]H)	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(H)	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a])(C[5a]C[5a]H){1|H<1>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|O<2>,1|S<2>,3|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(H){2|C<3>}	133.6095	0.166	2	134.1199	0.250	7	134.1186	1.445	12	133.7761	1.879	79	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a])(C[5a]C[5a]H)	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(H)	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a])(C[5a]C[5a]H){1|H<1>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a]){1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(H){2|C<3>}	134.4052	0.451	4	134.1199	0.250	7	134.1186	1.445	12	133.7761	1.879	79	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,6a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a])(C[5a]C[5a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,5a]C[5a])	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]N[6])(H)	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a])(C[5a]C[5a]H){1|N<3>,2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,5a]C[5a]){1|H<1>,1|S<2>,4|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]N[6])(H){2|C<3>,2|C<4>}	132.6840	0.000	1	132.6840	0.000	1	132.6840	0.000	1	133.7761	1.879	79	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	N[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](N[5a,5a]C[5a,6a]N[5a])(S[5a]C[5a,6a])(C[5a]C[5a]H)	S[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])	C[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]N[5a]C)(H)	C[5a,5a](N[5a,5a]C[5a,6a]N[5a])(S[5a]C[5a,6a])(C[5a]C[5a]H){1|C<4>,2|C<3>}	S[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]N[5a]C)(H){2|C<3>}	142.2910	0.000	1	142.2910	0.000	1	142.2910	0.000	1	133.7761	1.879	79	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]2)	S[5a](C[5a,5a]C[5a,5a]C[5a])2	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a,5a]C[5a])(C[5a]S[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]2){1|H<1>,1|S<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])2{1|H<1>,2|S<2>,3|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a,5a]C[5a])(C[5a]S[5a]H){1|H<1>,2|S<2>,3|C<3>}	133.1040	0.000	1	133.1040	0.000	1	133.1040	0.000	1	133.1040	0.000	1	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a]-3:C[5,5a]-3:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a,5a](C[5a,5a]C[5,5a]S[5a])(S[5a]C[5,5a])(C[5a]C[5a]C)	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5,5a]C[5,5a]2)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(CH3)	C[5a,5a](C[5a,5a]C[5,5a]S[5a])(S[5a]C[5,5a])(C[5a]C[5a]C){1|C<3>,1|H<1>,1|P<4>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5,5a]C[5,5a]2){1|C<4>,1|P<4>,2|C<3>,2|S<2>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(CH3){2|C<3>}	133.0228	0.577	4	133.0228	0.333	4	133.0228	0.333	4	132.8198	0.237	9	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]C)	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(CCHH)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]C){1|C<3>,1|H<1>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2){1|C<4>,2|C<3>,3|S<2>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(CCHH){2|C<3>}	133.0990	0.000	1	133.0990	0.000	1	133.0990	0.000	1	132.8198	0.237	9	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a]-3:Si-4:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]Si)	S[5a](C[5a,5a]C[5a,5a]C[5a])2	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]Br)(SiC3)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]Si){1|Br<1>,1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]C[5a])2{2|Si<4>,2|C<3>,2|S<2>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]Br)(SiC3){2|C<3>}	132.5470	0.344	4	132.5470	0.119	4	132.5470	0.119	4	132.8198	0.237	9	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:3:2:	3:2:	3:3:3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:C-3:	C[5a,5a](C[5a,5a]N[5a]O[5a])(C[5a]C[5a]C)(S[5a]S[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]N[5a])	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]O[5a]O)(CNO)	C[5a,5a](C[5a,5a]N[5a]O[5a])(C[5a]C[5a]C)(S[5a]S[5a]){1|O<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]N[5a]){1|O<2>,2|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]O[5a]O)(CNO){1|N<2>,1|S<2>}	135.9840	0.000	1	135.9840	0.000	1	135.9840	0.000	1	135.9840	0.000	1	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:2:1:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:B[5a]-3:	C[5a,5a]-3:S[5a]-2:H-1:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]S[5a]H)(S[5a]B[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(B[5a]B[5a]S[5a])	C[5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a])(H)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]S[5a]H)(S[5a]B[5a]){1|B<3>,1|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(B[5a]B[5a]S[5a]){1|C<3>,1|H<1>,3|S<2>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a])(H){1|B<3>,1|H<1>,1|S<2>}	129.6475	0.981	2	129.6475	0.962	2	129.6475	0.962	2	129.6475	0.962	2	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,6]-3:H-1:	C[5a,5a](C[5a,5a]C[5a,5a]N[5a,6])(C[5a]C[5a,6]H)(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])2	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6]N[5a,6]C[6])(H)	C[5a,5a](C[5a,5a]C[5a,5a]N[5a,6])(C[5a]C[5a,6]H)(S[5a]C[5a,5a]){1|B<4>,1|S<2>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])2{1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6]N[5a,6]C[6])(H){1|B<4>,1|C<4>,3|C<3>}	139.4590	0.061	2	139.4590	0.004	2	139.4590	0.004	2	136.0217	8.771	70	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,6a]-3:O-1:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a,6a]O)(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(O)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a,6a]O)(S[5a]C[5a,5a]){1|S<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2){1|O<1>,1|S<2>,4|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(O){1|H<1>,4|C<3>}	135.4810	0.000	2	135.4810	0.000	2	134.6260	0.524	6	136.0217	8.771	70	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,6a]-3:O-1:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a,6a]O)(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])2	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(O)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a,6a]O)(S[5a]C[5a,5a]){4|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])2{2|O<1>,4|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(O){1|H<1>,4|C<3>}	134.1985	0.378	4	134.1985	0.143	4	134.6260	0.524	6	136.0217	8.771	70	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:Br-1:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]Br)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[6a]S[5a])(Br)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]Br)(S[5a]C[5a]){1|Br<1>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C){2|Br<1>,1|C<3>,1|S<2>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[6a]S[5a])(Br){4|C<3>}	135.4047	0.385	3	135.4047	0.148	3	135.3714	0.076	7	136.0217	8.771	70	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:Br-1:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]Br)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(Br)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]Br)(S[5a]C[5a]){1|C<4>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C){1|Br<1>,1|S<2>,2|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(Br){2|C<3>}	135.4050	0.000	1	135.4050	0.000	1	135.3714	0.076	7	136.0217	8.771	70	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:Br-1:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]Br)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a])	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(Br)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]Br)(S[5a]C[5a]){1|Br<1>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a]){2|Br<1>,1|S<2>,3|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(Br){2|C<3>}	135.3270	0.271	3	135.3270	0.074	3	135.3714	0.076	7	136.0217	8.771	70	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]N[5a]H)(H)	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C){1|C<3>,1|N<3>,2|H<1>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]N[5a]H)(H){1|C<4>,2|C<3>}	140.4770	0.000	1	139.0500	1.017	4	136.0809	10.481	54	136.0217	8.771	70	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]N[5a]H)(H)	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]N[5a]H)(H){1|C<4>,2|C<3>}	138.5743	0.410	3	139.0500	1.017	4	136.0809	10.481	54	136.0217	8.771	70	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a])	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]N[5a]H)(H)	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]N[5a]H)(H){1|C<4>,2|C<3>}	141.4880	0.148	2	141.4880	0.022	2	136.0809	10.481	54	136.0217	8.771	70	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]N[5a]C)(H)	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,3|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	141.3485	0.303	2	141.3485	0.092	2	136.0809	10.481	54	136.0217	8.771	70	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a]O[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]O[5a]H)(H)	C[5a,5a](C[5a,5a]C[5a]O[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]O[5a]H)(H){2|C<3>}	142.7380	0.000	1	142.6175	0.029	2	136.0809	10.481	54	136.0217	8.771	70	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a]O[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]O[5a]H)(H)	C[5a,5a](C[5a,5a]C[5a]O[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2){2|C<3>,2|H<1>,2|O<2>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]O[5a]H)(H){2|C<3>}	142.4970	0.000	1	142.6175	0.029	2	136.0809	10.481	54	136.0217	8.771	70	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a]O[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]O[5a])(H)	C[5a,5a](C[5a,5a]C[5a]O[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H){1|C<3>,1|O<2>,2|H<1>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]O[5a])(H){1|O<2>,3|C<3>}	143.0940	0.000	1	142.9243	0.114	3	136.0809	10.481	54	136.0217	8.771	70	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a]O[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]O[5a])(H)	C[5a,5a](C[5a,5a]C[5a]O[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H){1|C<3>,1|O<2>,2|H<1>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]O[5a])(H){1|S<2>,3|C<3>}	142.8395	0.429	2	142.9243	0.114	3	136.0809	10.481	54	136.0217	8.771	70	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(H)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2){1|C<3>,1|N<2>,2|H<1>,2|S<2>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(H){2|C<3>}	134.2150	0.000	1	134.0310	1.547	4	136.0809	10.481	54	136.0217	8.771	70	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(H)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(H){2|C<3>}	132.2280	0.000	1	134.0310	1.547	4	136.0809	10.481	54	136.0217	8.771	70	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(H)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2){1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(H){2|C<3>}	134.9930	0.000	1	134.0310	1.547	4	136.0809	10.481	54	136.0217	8.771	70	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(H)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2){2|C<3>,2|H<1>,2|S<2>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(H){2|C<3>}	134.6880	0.000	1	134.0310	1.547	4	136.0809	10.481	54	136.0217	8.771	70	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]Si)(H)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Si<4>,1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2){1|H<1>,2|C<3>,3|S<2>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]Si)(H){2|C<3>}	136.2030	0.000	1	135.2525	1.807	2	136.0809	10.481	54	136.0217	8.771	70	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]Si)(H)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Si<4>,1|C<3>,1|S<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2){1|H<1>,1|S<3>,2|C<3>,2|S<2>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]Si)(H){2|C<3>}	134.3020	0.000	1	135.2525	1.807	2	136.0809	10.481	54	136.0217	8.771	70	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(H)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(H){2|C<3>}	134.1935	1.285	6	134.1935	1.651	6	136.0809	10.481	54	136.0217	8.771	70	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(H)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(H){2|C<3>}	134.8100	0.244	3	134.4934	0.280	5	136.0809	10.481	54	136.0217	8.771	70	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(H)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(H){2|C<3>}	134.0185	0.499	2	134.4934	0.280	5	136.0809	10.481	54	136.0217	8.771	70	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[5])	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(H)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[5]){1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(H){2|C<3>}	136.1950	0.000	1	135.5515	0.828	2	136.0809	10.481	54	136.0217	8.771	70	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[5])	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(H)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[5]){1|S<2>,1|S<4>,2|C<3>,2|H<1>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(H){2|C<3>}	134.9080	0.000	1	135.5515	0.828	2	136.0809	10.481	54	136.0217	8.771	70	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a])	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]B)(H)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|B<3>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]B)(H){2|C<3>}	134.8320	0.642	3	134.8320	0.412	3	136.0809	10.481	54	136.0217	8.771	70	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a])	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(H)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(H){2|C<3>}	135.8180	0.000	1	135.8180	0.000	1	136.0809	10.481	54	136.0217	8.771	70	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]S[5a])(H)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]S[5a])(H){1|N<2>,1|S<2>,2|C<3>}	135.9320	0.000	1	134.3818	2.276	4	136.0809	10.481	54	136.0217	8.771	70	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]S[5a])(H)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]S[5a])(H){1|N<2>,3|C<3>}	132.3230	0.000	1	134.3818	2.276	4	136.0809	10.481	54	136.0217	8.771	70	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]S[5a])(H)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]S[5a])(H){1|N<3>,3|C<3>}	134.8040	0.000	1	134.3818	2.276	4	136.0809	10.481	54	136.0217	8.771	70	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]S[5a])(H)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]S[5a])(H){1|S<2>,3|C<3>}	134.4680	0.000	1	134.3818	2.276	4	136.0809	10.481	54	136.0217	8.771	70	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(H)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(H){2|C<3>}	134.9547	0.559	3	134.9547	0.313	3	136.0809	10.481	54	136.0217	8.771	70	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C[5])(H)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C[5])(H){1|N<3>,3|C<3>}	135.3190	0.000	1	135.2245	0.018	2	136.0809	10.481	54	136.0217	8.771	70	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C[5])(H)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C[5])(H){1|S<4>,3|C<3>}	135.1300	0.000	1	135.2245	0.018	2	136.0809	10.481	54	136.0217	8.771	70	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(H)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(H){2|C<3>}	134.8392	0.280	4	134.3519	0.835	8	136.0809	10.481	54	136.0217	8.771	70	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(H)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){3|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(H){2|C<3>}	133.8645	1.112	4	134.3519	0.835	8	136.0809	10.481	54	136.0217	8.771	70	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](C[5a,5a]S[5a]2)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]O)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]Br)(H)	C[5a,5a](C[5a,5a]S[5a]2)(C[5a]C[5a]H)(S[5a]C[5a]){1|Br<1>,1|O<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]O){1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]Br)(H){1|C<3>,1|S<2>}	129.1590	0.000	1	129.1590	0.000	1	136.0809	10.481	54	136.0217	8.771	70	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	N[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:H-1:	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]H)(S[5a]C[5a])	S[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]C[6a])	C[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]H)(S[5a]C[5a]){1|S<2>,3|C<3>}	S[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	C[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,4|C<3>}	138.8760	0.000	1	138.8760	0.000	1	138.8760	0.000	1	136.0217	8.771	70	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5,5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C-2:	C[5a,5a](C[5a,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C)(S[5a]C[5,5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5,5a]C[5,5a]C[5])	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(CC)	C[5a,5a](C[5a,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C)(S[5a]C[5,5a]){4|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5,5a]C[5,5a]C[5]){2|C<2>,4|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(CC){1|H<1>,4|C<3>}	135.8310	0.000	2	135.8310	0.000	2	135.8310	0.000	2	135.3608	0.664	5	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:S-2:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]S)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]Si)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]S[5a])(SPd)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]S)(S[5a]C[5a]){1|Si<4>,1|C<3>,1|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]Si){1|C<3>,1|H<1>,2|S<2>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]S[5a])(SPd){1|S<2>,3|C<3>}	133.9160	0.000	1	133.9160	0.000	1	133.9160	0.000	1	135.3608	0.664	5	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[6a]-3:O[5a]-2:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[6a]O[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]O)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[6a]C[6a]2)(O[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[6a]O[5a])(S[5a]C[5a]){1|O<1>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]O){1|O<2>,2|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[6a]C[6a]2)(O[5a]C[5a]){1|H<1>,1|O<2>,1|S<2>,4|C<3>}	135.6130	0.013	2	135.6130	0.000	2	135.6130	0.000	2	135.3608	0.664	5	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a]-3:C[5]-3:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]C[5])(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])2	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]){1|S<2>,2|C<3>,2|C<4>}	S[5a](C[5a,5a]C[5a,5a]C[5a])2{1|H<1>,2|S<2>,3|C<3>}	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>}	133.9990	0.110	2	133.9990	0.012	2	133.9990	0.012	2	136.1292	4.395	22	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[6a]-3:	C[5a,5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a,5a]C[6a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a])	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]N[5a,5a]C[5a])(C[6a]C[6a]2)	C[5a,5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a,5a]C[6a])(S[5a]C[5a]){1|H<1>,5|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]N[5a,5a]C[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	139.0600	0.000	1	139.0600	0.000	1	139.0600	0.000	1	136.1292	4.395	22	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6]-3:C[6a]-3:	C[5a,5a](C[5a,5a]N[5a,6]C[5a])(C[5a]C[5a,6]C[6a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a])	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2)	C[5a,5a](C[5a,5a]N[5a,6]C[5a])(C[5a]C[5a,6]C[6a])(S[5a]C[5a]){1|B<4>,5|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a]){1|N<3>,5|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2){1|B<4>,3|H<1>,5|C<3>}	138.6540	0.689	2	138.6540	0.474	2	138.6540	0.474	2	136.1292	4.395	22	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C-3:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(CCrO)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|Br<1>,1|C<3>,1|C<4>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C){1|Br<1>,1|S<2>,2|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(CCrO){2|C<3>}	135.2000	0.000	1	135.2000	0.000	1	135.0107	0.206	3	136.1292	4.395	22	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C-3:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(CCH)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|C<3>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(CCH){2|C<3>}	134.4930	0.000	1	134.4930	0.000	1	135.0107	0.206	3	136.1292	4.395	22	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C-3:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(CCrO)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|C<3>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(CCrO){2|C<3>}	135.3390	0.000	1	135.3390	0.000	1	135.0107	0.206	3	136.1292	4.395	22	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a,5a]C[5a])(C[5a]S[5a]H)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a]){2|C<3>,3|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a,5a]C[5a])(C[5a]S[5a]H){1|H<1>,2|S<2>,3|C<3>}	135.2688	0.207	4	135.1467	0.082	6	135.1467	0.082	6	136.1292	4.395	22	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a,5a]C[5a])(C[5a]S[5a]H)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H){1|S<2>,3|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a,5a]C[5a])(C[5a]S[5a]H){1|H<1>,2|S<2>,3|C<3>}	134.9025	0.323	2	135.1467	0.082	6	135.1467	0.082	6	136.1292	4.395	22	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]C[6a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a])	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]C[6a])(S[5a]C[5a]){1|H<1>,5|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a]){1|N<3>,5|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){3|H<1>,4|C<3>}	139.5600	0.634	2	139.7527	0.312	3	136.8034	7.866	7	136.1292	4.395	22	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]C[6a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a])	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]C[6a])(S[5a]C[5a]){2|H<1>,4|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){3|H<1>,4|C<3>}	140.1380	0.000	1	139.7527	0.312	3	136.8034	7.866	7	136.1292	4.395	22	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C[6a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]B)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C[6a])(S[5a]C[5a]){1|B<3>,1|H<1>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]B){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	134.8553	0.189	3	134.8553	0.036	3	136.8034	7.866	7	136.1292	4.395	22	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C[6a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C[6a])(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	133.8000	0.000	1	133.8000	0.000	1	136.8034	7.866	7	136.1292	4.395	22	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:S-3:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]S)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]Si)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]S[5a])(SPd2)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]S)(S[5a]C[5a]){1|Si<4>,1|C<3>,1|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]Si){1|C<3>,1|H<1>,1|S<2>,1|S<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]S[5a])(SPd2){1|S<2>,3|C<3>}	136.9400	0.000	1	136.9400	0.000	1	136.9400	0.000	1	136.1292	4.395	22	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(CCHH)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2){1|C<3>,1|N<2>,2|C<4>,2|S<2>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(CCHH){2|C<3>}	134.8930	0.000	1	134.8930	0.000	1	132.7397	7.993	3	132.7397	7.993	3	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]S[5a])(CCHH)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H){1|C<3>,1|S<2>,2|C<4>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]S[5a])(CCHH){1|N<2>,1|S<2>,2|C<3>}	133.7880	0.000	1	133.7880	0.000	1	132.7397	7.993	3	132.7397	7.993	3	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a,5a](C[5a,5a]S[5a]2)(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]O)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(CCCH)	C[5a,5a](C[5a,5a]S[5a]2)(C[5a]C[5a]C)(S[5a]C[5a]){1|C<4>,1|O<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]O){1|C<3>,1|C<4>,1|S<2>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(CCCH){1|C<3>,1|S<2>}	129.5380	0.000	1	129.5380	0.000	1	132.7397	7.993	3	132.7397	7.993	3	134.7771	6.285	195	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[5a,6]-3:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:S[5a]-2:	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[3x6]C[5a])(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]F)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[3x6]C[5a])(S[5a]C[5a])	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[3x6]C[5a])(S[5a]C[5a]){1|C<4>,1|F<1>,1|H<1>,2|C<3>,2|O<2>}	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]F){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[3x6]C[5a])(S[5a]C[5a]){1|C<4>,1|F<1>,1|H<1>,2|C<3>,2|O<2>}	127.0385	0.080	2	127.0385	0.006	2	127.0633	3.502	26	126.9755	3.349	28	127.0307	3.318	29	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[5a,6]-3:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:S[5a]-2:	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[5,6]C[5a])(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]Br)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[5,6]C[5a])(S[5a]C[5a])	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[5,6]C[5a])(S[5a]C[5a]){1|Br<1>,1|C<4>,1|H<1>,2|C<3>,2|O<2>}	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]Br){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[5,6]C[5a])(S[5a]C[5a]){1|Br<1>,1|C<4>,1|H<1>,2|C<3>,2|O<2>}	127.1695	0.120	2	127.1695	0.014	2	127.0633	3.502	26	126.9755	3.349	28	127.0307	3.318	29	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[5a,6]-3:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:S[5a]-2:	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[5,6]N[5a])(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]N[5a])	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[5,6]N[5a])(S[5a]C[5a])	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[5,6]N[5a])(S[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|O<2>}	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]N[5a]){1|C<4>,2|C<3>,2|S<2>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[5,6]N[5a])(S[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|O<2>}	128.9830	0.466	4	128.9830	0.217	4	127.0633	3.502	26	126.9755	3.349	28	127.0307	3.318	29	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[5a,6]-3:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:S[5a]-2:	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[5,6]N[5a])(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]2)(C[5a]N[5a]C)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[5,6]N[5a])(S[5a]C[5a])	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[5,6]N[5a])(S[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|O<2>}	S[5a](C[5a,6]C[5a,6]2)(C[5a]N[5a]C){1|C<3>,1|C<4>,1|S<2>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[5,6]N[5a])(S[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|O<2>}	129.3618	0.736	4	129.3618	0.541	4	127.0633	3.502	26	126.9755	3.349	28	127.0307	3.318	29	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[5a,6]-3:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:S[5a]-2:	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[5a]B[6])(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[5a]B[6])(S[5a]C[5a])	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[5a]B[6])(S[5a]C[5a]){1|B<3>,1|N<3>,2|C<3>,2|H<1>}	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]H){1|B<3>,1|C<3>,1|H<1>,1|S<2>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[5a]B[6])(S[5a]C[5a]){1|B<3>,1|N<3>,2|C<3>,2|H<1>}	122.6650	0.335	2	122.6650	0.112	2	127.0633	3.502	26	126.9755	3.349	28	127.0307	3.318	29	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[5a,6]-3:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:S[5a]-2:	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[5a]C[6])(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]Br)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[5a]C[6])(S[5a]C[5a])	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[5a]C[6])(S[5a]C[5a]){1|Br<1>,1|H<1>,1|O<1>,3|C<3>}	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]Br){1|H<1>,1|S<2>,2|C<3>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[5a]C[6])(S[5a]C[5a]){1|Br<1>,1|H<1>,1|O<1>,3|C<3>}	126.1030	0.171	2	126.1030	0.029	2	127.0633	3.502	26	126.9755	3.349	28	127.0307	3.318	29	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[5a,6]-3:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:S[5a]-2:	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[5a]C[6])(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]C)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[5a]C[6])(S[5a]C[5a])	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[5a]C[6])(S[5a]C[5a]){1|H<1>,1|O<1>,4|C<3>}	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]C){1|H<1>,1|S<2>,2|C<3>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[5a]C[6])(S[5a]C[5a]){1|H<1>,1|O<1>,4|C<3>}	125.6820	0.110	2	125.6820	0.012	2	127.0633	3.502	26	126.9755	3.349	28	127.0307	3.318	29	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[5a,6]-3:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:S[5a]-2:	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[5a]C[6])(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]Cl)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[5a]C[6])(S[5a]C[5a])	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[5a]C[6])(S[5a]C[5a]){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]Cl){1|H<1>,1|S<2>,2|C<3>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[5a]C[6])(S[5a]C[5a]){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	126.0465	0.059	2	126.0465	0.003	2	127.0633	3.502	26	126.9755	3.349	28	127.0307	3.318	29	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[5a,6]-3:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:S[5a]-2:	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[5a]C[6])(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]F)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[5a]C[6])(S[5a]C[5a])	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[5a]C[6])(S[5a]C[5a]){1|F<1>,1|H<1>,1|O<1>,3|C<3>}	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]F){1|H<1>,1|S<2>,2|C<3>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[5a]C[6])(S[5a]C[5a]){1|F<1>,1|H<1>,1|O<1>,3|C<3>}	126.3750	0.088	2	126.3750	0.008	2	127.0633	3.502	26	126.9755	3.349	28	127.0307	3.318	29	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[5a,6]-3:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:S[5a]-2:	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[5a]C[6])(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]I)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[5a]C[6])(S[5a]C[5a])	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[5a]C[6])(S[5a]C[5a]){1|H<1>,1|I<1>,1|O<1>,3|C<3>}	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]I){1|H<1>,1|S<2>,2|C<3>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[5a]C[6])(S[5a]C[5a]){1|H<1>,1|I<1>,1|O<1>,3|C<3>}	126.3670	0.113	2	126.3670	0.013	2	127.0633	3.502	26	126.9755	3.349	28	127.0307	3.318	29	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[5a,6]-3:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:S[5a]-2:	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[6,6]C[5a])(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[6,6]C[5a])(S[5a]C[5a])	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[6,6]C[5a])(S[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[6,6]C[5a])(S[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	127.6875	0.264	2	127.6875	0.070	2	127.0633	3.502	26	126.9755	3.349	28	127.0307	3.318	29	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[5a,6]-3:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a,6]-3:N[5a]-2:	C[5a,6](C[5a,6]N[5a,6]N[5a])(C[5a,6]C[5a]C[6])(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a,6]S[5a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	C[5a,6](C[5a,6]N[5a,6]N[5a])(C[5a,6]C[5a]C[6])(S[5a]C[5a]){2|H<1>,4|C<3>}	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|C<4>,5|C<3>}	126.0080	0.000	1	125.8335	0.061	2	125.8335	0.061	2	126.9755	3.349	28	127.0307	3.318	29	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[5a,6]-3:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a,6]-3:N[5a]-2:	C[5a,6](C[5a,6]N[5a,6]N[5a])(C[5a,6]C[5a]C[6])(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a,6]S[5a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	C[5a,6](C[5a,6]N[5a,6]N[5a])(C[5a,6]C[5a]C[6])(S[5a]C[5a]){2|H<1>,4|C<3>}	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){6|C<3>}	125.6590	0.000	1	125.8335	0.061	2	125.8335	0.061	2	126.9755	3.349	28	127.0307	3.318	29	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:S[5a]-2:	C[5a,6]-3:C[5a]-3:	N[5a,6,6]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](C[5a,6]N[5a,6,6]C[5a])(C[5a,6]C[5a]O[6])(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]H)	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)	C[5a,6](C[5a,6]N[5a,6,6]C[5a])(C[5a,6]C[5a]O[6])(S[5a]C[5a]){1|B<4>,2|C<3>,3|H<1>}	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H){1|F<1>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	128.5770	0.000	1	128.5770	0.000	1	128.5770	0.000	1	128.5770	0.000	1	127.0307	3.318	29	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5,6a]	3:3:2:	3:2:	3:3:2:	C[5,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5,6a]-3:N[5]-2:	C[5a,6a](C[5,6a]C[5,6a]N[5])(C[5a,6a]C[6a]N[5a])(S[5a]S[5a])	S[5a](C[5a,6a]C[5a,6a]C[5,6a])(S[5a]N[5a])	C[5,6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[6a]S[5])(N[5]S[5])	C[5a,6a](C[5,6a]C[5,6a]N[5])(C[5a,6a]C[6a]N[5a])(S[5a]S[5a]){1|C<3>,1|C<4>,2|S<2>}	S[5a](C[5a,6a]C[5a,6a]C[5,6a])(S[5a]N[5a]){1|N<2>,2|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[6a]S[5])(N[5]S[5]){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	122.6180	0.000	1	122.6180	0.000	1	122.6180	0.000	1	122.6180	0.000	1	125.7720	8.932	8	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5,6a]	3:3:2:	3:3:	3:3:2:	C[5,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:B[5a]-3:	C[5a,6a]-3:C[5,6a]-3:S[5]-2:	C[5a,6a](C[5,6a]C[5,6a]S[5])(C[5a,6a]C[6a]S[5a])(S[5a]B[5a])	S[5a](C[5a,6a]C[5a,6a]C[5,6a])(B[5a]S[5a]Br)	C[5,6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[6a]S[5])(S[5]B[5])	C[5a,6a](C[5,6a]C[5,6a]S[5])(C[5a,6a]C[6a]S[5a])(S[5a]B[5a]){1|Br<1>,1|B<4>,1|C<3>,1|H<1>,1|S<3>}	S[5a](C[5a,6a]C[5a,6a]C[5,6a])(B[5a]S[5a]Br){1|S<2>,2|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[6a]S[5])(S[5]B[5]){2|Br<1>,1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|S<2>}	121.9900	0.000	1	121.9900	0.000	1	121.9900	0.000	1	121.9900	0.000	1	125.7720	8.932	8	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5,6a]-3:C[5]-3:	C[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a]C[5a]H)	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]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[6a]C[5])(C[5]O[5]O){1|O<2>,2|H<1>,3|C<3>}	129.1150	0.000	1	129.0017	0.014	3	129.0017	0.014	3	126.9280	6.051	6	125.7720	8.932	8	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5,6a]-3:C[5]-3:	C[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a]C[5a]H)	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]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[6a]C[5])(C[5]O[5]O){1|S<2>,2|H<1>,3|C<3>}	128.9450	0.098	2	129.0017	0.014	3	129.0017	0.014	3	126.9280	6.051	6	125.7720	8.932	8	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2)(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5,6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5a,6a]C[5])	C[5a,6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2)(S[5a]C[5a,6a]){1|C<4>,1|S<2>,5|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5a,6a]C[5]){1|H<1>,2|C<4>,6|C<3>}	126.5360	0.000	1	126.5360	0.000	1	124.8543	2.212	3	126.9280	6.051	6	125.7720	8.932	8	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]2)(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5,6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]2)(S[5a]C[5a,6a]){2|C<4>,5|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5]){1|H<1>,2|C<4>,6|C<3>}	124.0135	0.426	2	124.0135	0.182	2	124.8543	2.212	3	126.9280	6.051	6	125.7720	8.932	8	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6,6a]C[5a,6,6a]N[6,6a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6,6a]C[5a,6a])2	C[5a,6a](C[5a,6a]C[5a,6,6a]S[5a])(C[5a,6a]B[6a]C[5a])(S[5a]C[5a])	C[5a,6a](C[5a,6,6a]C[5a,6,6a]N[6,6a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a,6a]){1|B<3>,1|C<4>,1|N<3>,3|C<3>}	S[5a](C[5a,6a]C[5a,6,6a]C[5a,6a])2{2|C<3>,2|N<3>,2|S<2>}	C[5a,6a](C[5a,6a]C[5a,6,6a]S[5a])(C[5a,6a]B[6a]C[5a])(S[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	128.8090	0.034	2	128.8090	0.001	2	128.8090	0.001	2	126.7331	2.546	89	126.8412	2.760	109	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a,5a])	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a,5a]){1|C<4>,1|S<2>,4|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2){1|H<1>,2|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a,5a]){1|C<4>,1|S<2>,4|C<3>}	125.8220	0.833	2	125.8220	0.694	2	125.8220	0.694	2	126.7331	2.546	89	126.8412	2.760	109	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a,6a]){1|N<2>,5|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a,6a]){1|N<2>,5|C<3>}	124.9305	0.022	2	124.1192	0.883	4	125.5529	2.248	21	126.7331	2.546	89	126.8412	2.760	109	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a,6a]){6|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a,6a]){6|C<3>}	123.3080	0.124	2	124.1192	0.883	4	125.5529	2.248	21	126.7331	2.546	89	126.8412	2.760	109	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]2)2	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a,6a]){1|H<1>,5|C<3>}	S[5a](C[5a,6a]C[5a,6a]2)2{2|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	127.3217	0.323	6	127.2546	0.118	8	125.5529	2.248	21	126.7331	2.546	89	126.8412	2.760	109	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]2)2	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a,6a]){1|H<1>,5|C<3>}	S[5a](C[5a,6a]C[5a,6a]2)2{2|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){3|C<3>,3|H<1>}	127.0535	0.443	2	127.2546	0.118	8	125.5529	2.248	21	126.7331	2.546	89	126.8412	2.760	109	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a,6a]){1|C<4>,5|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	124.4053	0.041	3	124.3915	0.002	4	125.5529	2.248	21	126.7331	2.546	89	126.8412	2.760	109	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a,6a]){1|C<4>,5|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){3|C<3>,3|H<1>}	124.3500	0.000	1	124.3915	0.002	4	125.5529	2.248	21	126.7331	2.546	89	126.8412	2.760	109	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(S[5a]C[5a,6a]){2|N<2>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a]){1|S<2>,4|C<3>}	126.3070	0.000	1	126.3070	0.000	1	125.5529	2.248	21	126.7331	2.546	89	126.8412	2.760	109	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(S[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(S[5a]C[5a,6a]){1|N<3>,5|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(S[5a]C[5a,6a]){6|C<3>}	124.4220	0.151	2	124.5560	0.052	4	125.5529	2.248	21	126.7331	2.546	89	126.8412	2.760	109	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(S[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(S[5a]C[5a,6a]){6|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(S[5a]C[5a,6a]){1|N<3>,5|C<3>}	124.6900	0.250	2	124.5560	0.052	4	125.5529	2.248	21	126.7331	2.546	89	126.8412	2.760	109	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6,6a]S[5a])(C[5a,6a]B[6a]C[5a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H)	C[5a,6a](C[5a,6,6a]C[5a,6,6a]N[6,6a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6,6a]S[5a])(C[5a,6a]B[6a]C[5a])(S[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H){1|B<3>,1|C<3>,1|H<1>,1|S<2>}	C[5a,6a](C[5a,6,6a]C[5a,6,6a]N[6,6a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a,6a]){1|B<3>,1|C<4>,1|N<3>,3|C<3>}	126.9035	0.110	2	126.9035	0.012	2	126.9035	0.012	2	126.7331	2.546	89	126.8412	2.760	109	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]N[5a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]N[5a])(S[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(N[5a]C[5a]){1|C<4>,1|S<2>,4|C<3>}	127.4245	0.571	2	127.4245	0.326	2	129.2782	3.717	5	126.7331	2.546	89	126.8412	2.760	109	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a]N[5a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a]N[5a])(S[5a]C[5a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[6a]N[5a]){1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	131.2285	0.155	2	131.2285	0.024	2	129.2782	3.717	5	126.7331	2.546	89	126.8412	2.760	109	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])2(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])2(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])2(S[5a]C[5a]){1|S<2>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[6a]N[5a]){1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])2(N[5a]C[5a]){1|N<2>,1|S<2>,3|C<3>}	129.0850	0.000	1	129.0850	0.000	1	129.2782	3.717	5	126.7331	2.546	89	126.8412	2.760	109	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]B[6a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]N[6a,6a]C[5a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]B[6a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]C){1|B<3>,1|C<3>,1|H<1>,1|S<2>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]N[6a,6a]C[5a])(S[5a]C[5a]){1|B<3>,1|C<4>,1|H<1>,3|C<3>}	126.0742	0.232	6	126.0742	0.054	6	126.8979	1.606	57	126.7331	2.546	89	126.8412	2.760	109	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	125.9815	0.924	2	125.9815	0.854	2	126.8979	1.606	57	126.7331	2.546	89	126.8412	2.760	109	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(S[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a]){1|S<2>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[6a]N[5a]){1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(S[5a]C[5a,6a]){2|N<2>,4|C<3>}	129.7840	0.000	1	129.7840	0.000	1	126.8979	1.606	57	126.7331	2.546	89	126.8412	2.760	109	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5,6a]C[5a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5,6a]C[5a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5,6a]C[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]C){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5,6a]C[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,4|C<3>}	123.1580	1.410	2	123.1580	1.988	2	126.8979	1.606	57	126.7331	2.546	89	126.8412	2.760	109	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5,6a]C[5a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5,6a]C[5a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5,6a]C[5a])(S[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5,6a]C[5a])(S[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	126.6551	0.329	10	126.6551	0.108	10	126.8979	1.606	57	126.7331	2.546	89	126.8412	2.760	109	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a,6a]){1|C<4>,5|C<3>}	127.8893	0.116	3	127.9673	0.085	12	126.8979	1.606	57	126.7331	2.546	89	126.8412	2.760	109	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a,6a]){1|H<1>,5|C<3>}	127.8673	0.236	6	127.9673	0.085	12	126.8979	1.606	57	126.7331	2.546	89	126.8412	2.760	109	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){3|C<3>,3|H<1>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a,6a]){1|C<4>,5|C<3>}	127.8780	0.000	1	127.9673	0.085	12	126.8979	1.606	57	126.7331	2.546	89	126.8412	2.760	109	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){3|C<3>,3|H<1>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a,6a]){1|H<1>,5|C<3>}	128.4290	0.349	2	127.9673	0.085	12	126.8979	1.606	57	126.7331	2.546	89	126.8412	2.760	109	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[6a,6a]C[5a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[6a,6a]C[5a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[6a,6a]C[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]C){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[6a,6a]C[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	127.4117	0.403	6	127.4117	0.162	6	126.8979	1.606	57	126.7331	2.546	89	126.8412	2.760	109	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[6a,6a]C[5a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[6a,6a]C[5a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[6a,6a]C[5a])(S[5a]C[5a]){1|N<2>,2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[6a,6a]C[5a])(S[5a]C[5a]){1|N<2>,2|H<1>,3|C<3>}	128.1525	0.299	6	128.0563	0.096	8	126.8979	1.606	57	126.7331	2.546	89	126.8412	2.760	109	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[6a,6a]C[5a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[6a,6a]C[5a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[6a,6a]C[5a])(S[5a]C[5a]){2|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[6a,6a]C[5a])(S[5a]C[5a]){2|H<1>,4|C<3>}	127.7675	0.028	2	128.0563	0.096	8	126.8979	1.606	57	126.7331	2.546	89	126.8412	2.760	109	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]N[5a]S[6a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]N[5a]S)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]N[5a]S[6a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]N[5a]S[6a])(S[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,1|S<1>,1|S<2>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]N[5a]S){1|C<3>,1|C<4>,2|S<2>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]N[5a]S[6a])(S[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,1|S<1>,1|S<2>}	126.0677	0.238	4	126.0677	0.057	4	126.8979	1.606	57	126.7331	2.546	89	126.8412	2.760	109	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]N[6a,6a]C[5a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]B[6a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]N[6a,6a]C[5a])(S[5a]C[5a]){1|B<3>,1|C<4>,1|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]C){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5a,6a](C[5a,6a]B[6a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	125.5535	0.447	6	125.5535	0.200	6	126.8979	1.606	57	126.7331	2.546	89	126.8412	2.760	109	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]2)(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5,6a]S[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]2)(S[5a]C[5a,6a]){1|C<4>,1|S<2>,5|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5,6a]S[5a]){1|H<1>,6|C<3>}	123.4560	0.000	1	123.4560	0.000	1	123.4560	0.000	1	127.3222	3.602	20	126.8412	2.760	109	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[5a,6a]2)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[5a,6a]2)(S[5a]C[5a]){1|N<3>,3|C<3>,3|H<1>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[6a]N[5a]){1|S<4>,2|H<1>,5|C<3>}	128.0840	0.000	1	128.0840	0.000	1	128.0840	0.000	1	127.3222	3.602	20	126.8412	2.760	109	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])2(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6])(C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a,6]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])2(S[5a]C[5a]){1|C<4>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6])(C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a,6]H){1|B<4>,5|C<3>}	128.0080	0.238	2	128.0080	0.056	2	126.9688	1.762	13	127.3222	3.602	20	126.8412	2.760	109	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])2(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])2(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])2(S[5a]C[5a]){1|C<4>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])2(C[5a]C[5a]H){1|C<4>,4|C<3>}	124.6205	0.141	2	124.6205	0.020	2	126.9688	1.762	13	127.3222	3.602	20	126.8412	2.760	109	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])2(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])2(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])2(S[5a]C[5a]){2|C<3>,2|S<2>,3|H<1>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])2(C[5a]C[5a]H){1|H<1>,4|C<3>}	127.2598	0.943	9	127.2598	0.890	9	126.9688	1.762	13	127.3222	3.602	20	126.8412	2.760	109	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]N[5a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]N[5a])(S[5a]C[5a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(N[5a]C[5a]C){1|S<2>,4|C<3>}	129.9405	0.023	2	129.9405	0.001	2	130.3707	0.555	3	127.3222	3.602	20	126.8412	2.760	109	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a]N[5a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]N[5a]N)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a]N[5a])(S[5a]C[5a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]N[5a]N){1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H){1|N<2>,2|C<3>,2|H<1>}	131.2310	0.000	1	131.2310	0.000	1	130.3707	0.555	3	127.3222	3.602	20	126.8412	2.760	109	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[5a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[5a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){2|C<4>,3|C<3>}	126.5980	0.320	2	126.5980	0.102	2	126.5980	0.102	2	127.3222	3.602	20	126.8412	2.760	109	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	2:2:3:	3:3:	3:2:2:	N[5a]-2:S[5a]-2:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N[5a]-2:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[5a]N[5a]2)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(N[5a]O[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[5a]N[5a]2){1|O<2>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|H<1>,2|C<3>,2|N<2>}	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(N[5a]O[5a]){1|C<4>,2|C<3>}	120.3670	0.000	1	120.3670	0.000	1	120.3670	0.000	1	120.3670	0.000	1	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[5a]-3:	C[5a,5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(C[5a]C[5a]2)	S[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S[5a])(C[5a]N[5a]H)	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(C[5a]C[5a]2){1|H<1>,1|N<3>,2|C<3>,2|N<2>}	S[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]N[5a]){1|N<2>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S[5a])(C[5a]N[5a]H){1|H<1>,1|N<3>,3|C<3>}	119.0850	0.000	1	119.0850	0.000	1	119.0850	0.000	1	120.6109	5.542	8	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[5a]C[5a]2)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]2)(C[5a]O[5a]H)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[5a]C[5a]2){1|H<1>,1|O<2>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|H<1>,4|C<3>}	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]2)(C[5a]O[5a]H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	121.8145	4.366	2	121.8145	19.065	2	120.8289	6.022	7	120.6109	5.542	8	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[5a]C[5a]2)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]C)(C[5a]S[5a]C)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[5a]C[5a]2){1|C<2>,1|S<2>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|H<1>,4|C<3>}	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]C)(C[5a]S[5a]C){1|N<3>,2|C<3>}	119.2780	0.000	1	119.2780	0.000	1	120.8289	6.022	7	120.6109	5.542	8	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[5a]C[5a]2)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]S[5a])(C[5a]N[5a]C)(C[5a]N[5a]N)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[5a]C[5a]2){1|C<4>,1|N<2>,2|C<3>,2|N<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|H<1>,4|C<3>}	C[5a](C[5a]N[5a]S[5a])(C[5a]N[5a]C)(C[5a]N[5a]N){1|C<4>,2|C<3>}	122.2980	0.000	1	122.4965	0.079	2	120.8289	6.022	7	120.6109	5.542	8	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[5a]C[5a]2)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]S[5a])(C[5a]N[5a]C)(C[5a]N[5a]N)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[5a]C[5a]2){1|C<4>,1|N<2>,2|C<3>,2|N<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|H<1>,4|C<3>}	C[5a](C[5a]N[5a]S[5a])(C[5a]N[5a]C)(C[5a]N[5a]N){1|H<1>,2|C<3>}	122.6950	0.000	1	122.4965	0.079	2	120.8289	6.022	7	120.6109	5.542	8	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:S[5a]-2:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[5a]C[5a]2)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]S[5a])(C[5a]N[5a]C)(C[5a]N[5a]O)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[5a]C[5a]2){1|C<4>,1|O<1>,2|C<3>,2|N<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|H<1>,4|C<3>}	C[5a](C[5a]N[5a]S[5a])(C[5a]N[5a]C)(C[5a]N[5a]O){1|C<4>,3|C<3>}	118.9510	0.161	2	118.9510	0.026	2	120.8289	6.022	7	120.6109	5.542	8	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:2:2:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a,5a])(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a,5a])(S[5a]C[5a,5a]){1|N<2>,1|S<2>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]N[5a]){1|C<3>,1|N<2>,2|S<2>}	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a]){1|H<1>,3|C<3>}	118.1205	1.935	2	118.7127	2.925	3	118.7127	2.925	3	120.6057	2.655	14	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:2:2:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a,5a])(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a,5a])(S[5a]C[5a,5a]){1|N<2>,1|S<2>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]N[5a]){1|C<3>,1|N<2>,2|S<2>}	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a]){2|C<3>,2|H<1>}	119.8970	0.000	1	118.7127	2.925	3	118.7127	2.925	3	120.6057	2.655	14	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:2:2:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a,6a])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a,6a])(S[5a]C[5a,6a]){4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,1|O<2>,2|C<3>}	119.6720	0.000	1	120.4980	1.365	2	120.4980	1.365	2	120.6057	2.655	14	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:2:2:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a,6a])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a,6a])(S[5a]C[5a,6a]){4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a]){1|H<1>,1|O<2>,2|C<3>}	121.3240	0.000	1	120.4980	1.365	2	120.4980	1.365	2	120.6057	2.655	14	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:2:2:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a,5a])(S[5a]C[5a,5a])	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a]){1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a]){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a,5a])(S[5a]C[5a,5a]){1|N<2>,1|S<2>,2|C<3>}	121.9970	1.987	2	121.9970	3.948	2	121.2607	1.583	9	120.6057	2.655	14	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:2:2:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a]){1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a]){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a]){1|H<1>,3|C<3>}	121.6280	0.454	2	121.6280	0.206	2	121.2607	1.583	9	120.6057	2.655	14	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:2:2:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a])	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a,6a])(S[5a]C[5a,6a])	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,1|O<2>,2|C<3>}	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C){1|N<2>,1|O<2>,1|S<2>}	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a,6a])(S[5a]C[5a,6a]){4|C<3>}	121.5750	0.000	1	121.5750	0.000	1	121.2607	1.583	9	120.6057	2.655	14	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:2:2:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a])	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,3|C<3>}	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C){1|C<4>,1|N<2>,1|S<2>}	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	122.3180	0.000	1	122.3180	0.000	1	121.2607	1.583	9	120.6057	2.655	14	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:2:2:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a])	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a,5a])(S[5a]C[5a,5a])	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a]){2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H){1|H<1>,1|N<2>,1|S<2>}	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a,5a])(S[5a]C[5a,5a]){1|N<2>,1|S<2>,2|C<3>}	121.0640	0.000	1	121.0640	0.000	1	121.2607	1.583	9	120.6057	2.655	14	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:2:2:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a])	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a,6a])(S[5a]C[5a,6a])	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a]){1|H<1>,1|O<2>,2|C<3>}	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H){1|N<2>,1|O<2>,1|S<2>}	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a,6a])(S[5a]C[5a,6a]){4|C<3>}	119.8710	0.000	1	119.8710	0.000	1	121.2607	1.583	9	120.6057	2.655	14	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:2:2:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a])	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H){1|C<4>,1|N<2>,1|S<2>}	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,3|C<3>}	119.2680	0.000	1	119.2680	0.000	1	121.2607	1.583	9	120.6057	2.655	14	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a,5a])(S[5a]C[5a,5a])	S[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(N[5a]O[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a,5a])(S[5a]C[5a,5a]){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	S[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]N[5a]){2|C<3>,2|N<2>}	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(N[5a]O[5a]){1|C<3>,1|C<4>,1|N<3>}	119.8050	0.000	1	119.8050	0.000	1	119.8050	0.000	1	122.8821	8.187	47	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a](C[5a]C[5a]O[5a])(N[5a]N[5a,5a])(S[5a]C[5a,5a])	S[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]O[5a])(N[5a]N[5a,5a])(S[5a]C[5a,5a]){1|H<1>,1|N<2>,3|C<3>}	S[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]N[5a]){1|N<2>,1|O<2>,2|C<3>}	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	122.3170	0.000	1	122.3170	0.000	1	122.3170	0.000	1	122.8821	8.187	47	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,5a])(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,5a])(S[5a]C[5a,5a]){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]N[5a]){2|C<3>,2|S<2>}	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,3|C<3>}	119.2075	1.452	2	119.5813	1.473	3	119.8723	0.692	6	122.8821	8.187	47	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,5a])(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,5a])(S[5a]C[5a,5a]){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]N[5a]){2|C<3>,2|S<2>}	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,2|H<1>}	120.3290	0.000	1	119.5813	1.473	3	119.8723	0.692	6	122.8821	8.187	47	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,5a])(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]S[5a])(C[5a]N[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,5a])(S[5a]C[5a,5a]){1|C<3>,1|H<1>,1|S<2>,2|N<2>}	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]N[5a]){2|C<3>,2|S<2>}	C[5a](C[5a]N[5a]S[5a])(C[5a]N[5a]H)(S[5a]C[5a]){3|C<3>}	120.1633	0.049	3	120.1633	0.002	3	119.8723	0.692	6	122.8821	8.187	47	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6])(S[5a]C[5a,6])	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6])(S[5a]C[5a,6]){1|C<4>,1|H<1>,3|C<3>}	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]N[5a]){1|C<4>,2|C<3>,2|S<2>}	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Si<4>,1|C<4>,2|C<3>}	121.4270	0.086	2	120.1424	1.701	5	120.1424	1.701	5	122.8821	8.187	47	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6])(S[5a]C[5a,6])	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6])(S[5a]C[5a,6]){1|C<4>,1|H<1>,3|C<3>}	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]N[5a]){1|C<4>,2|C<3>,2|S<2>}	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,2|H<1>}	119.6250	0.779	2	120.1424	1.701	5	120.1424	1.701	5	122.8821	8.187	47	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6])(S[5a]C[5a,6])	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6])(S[5a]C[5a,6]){1|H<1>,4|C<3>}	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]N[5a]){2|S<2>,3|C<3>}	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	118.6080	0.000	1	120.1424	1.701	5	120.1424	1.701	5	122.8821	8.187	47	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a,5a]C)(S[5a]C[5a,5a])	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a])(S[5a]C[5a,6a]){1|C<4>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a,5a]C)(S[5a]C[5a,5a]){1|S<2>,3|C<3>}	121.6790	0.000	1	121.6790	0.000	1	120.3883	0.610	6	122.8821	8.187	47	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a,5a]H)(S[5a]C[5a,5a])	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a])(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a,5a]H)(S[5a]C[5a,5a]){1|S<2>,3|C<3>}	120.7920	0.000	1	120.7920	0.000	1	120.3883	0.610	6	122.8821	8.187	47	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a])(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,3|C<3>}	119.9647	0.410	4	119.9647	0.168	4	120.3883	0.610	6	122.8821	8.187	47	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	N[5a,6]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a,6]N[5a])(N[5a]C[5a,6a])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a](N[5a,6]C[5a,6]N[6])(C[5a]N[5a]S[5a])(N[5a]N[5a])	C[5a](C[5a]N[5a,6]N[5a])(N[5a]C[5a,6a])(S[5a]C[5a,6a]){2|N<2>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](N[5a,6]C[5a,6]N[6])(C[5a]N[5a]S[5a])(N[5a]N[5a]){1|S<2>,3|C<3>}	121.9760	0.000	1	121.9760	0.000	1	121.9760	0.000	1	122.8821	8.187	47	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a,6]S[5a])(N[5a]N[5a])(S[5a]C[5a])	S[5a](C[5a]C[5a]N[5a])2	C[5a](C[5a,6]C[5a,6]S[6])(C[5a]N[5a]S[5a])(S[5a]C[5a])	C[5a](C[5a]C[5a,6]S[5a])(N[5a]N[5a])(S[5a]C[5a]){1|S<2>,3|C<3>}	S[5a](C[5a]C[5a]N[5a])2{2|C<3>,2|S<2>}	C[5a](C[5a,6]C[5a,6]S[6])(C[5a]N[5a]S[5a])(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<2>}	126.2095	0.086	2	126.2095	0.007	2	126.2095	0.007	2	122.8821	8.187	47	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a])	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(N[5a]N[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|N<2>}	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(N[5a]N[5a]){4|C<3>}	121.3720	0.000	1	121.3720	0.000	1	120.5067	1.061	3	122.8821	8.187	47	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a])	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(N[5a]N[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H){1|N<2>,2|C<3>}	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(N[5a]N[5a]){4|C<3>}	120.0740	1.000	2	120.0740	1.000	2	120.5067	1.061	3	122.8821	8.187	47	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a](C[5a]C[5a]O[5a])(N[5a]C[5a])(S[5a]C[5a])	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a,6a]H)(O[5a]C[5a,6a])	C[5a](C[5a]C[5a]O[5a])(N[5a]C[5a])(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C){1|C<3>,1|H<1>,1|O<2>}	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a,6a]H)(O[5a]C[5a,6a]){4|C<3>}	120.1810	0.000	1	120.1810	0.000	1	120.1810	0.000	1	122.8821	8.187	47	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a])	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C){1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a]){1|N<2>,1|S<2>,4|C<3>}	125.4090	0.000	1	125.4090	0.000	1	125.4745	1.692	21	122.8821	8.187	47	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a])	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a]){1|N<2>,1|S<2>,4|C<3>}	123.6920	0.183	4	123.6920	0.034	4	125.4745	1.692	21	122.8821	8.187	47	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(N[5a]N[5a])(S[5a]C[5a])	S[5a](C[5a]C[5a]N[5a])2	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S[5a])(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(N[5a]N[5a])(S[5a]C[5a]){4|C<3>}	S[5a](C[5a]C[5a]N[5a])2{2|C<3>,2|S<2>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S[5a])(S[5a]C[5a]){1|N<2>,2|H<1>,3|C<3>}	126.2074	0.823	14	126.2074	0.677	14	125.4745	1.692	21	122.8821	8.187	47	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(N[5a]N[5a])(S[5a]C[5a])	S[5a](C[5a]C[5a]N[5a])2	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(N[5a]N[5a])(S[5a]C[5a]){1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]N[5a])2{2|C<3>,2|S<2>}	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	123.9420	0.120	2	123.9420	0.014	2	125.4745	1.692	21	122.8821	8.187	47	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a,5a]C[5a])(N[5a]C[5a,6a])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a](C[5a,5a]N[5a,5a,6]C[5a,6a])(C[5a]C[5a,6]C[6a])(C[5a]N[5a]S[5a])	C[5a](C[5a]C[5a,5a]C[5a])(N[5a]C[5a,6a])(S[5a]C[5a,6a]){1|N<3>,5|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|H<1>,4|C<3>}	C[5a](C[5a,5a]N[5a,5a,6]C[5a,6a])(C[5a]C[5a,6]C[6a])(C[5a]N[5a]S[5a]){8|C<3>}	120.6000	0.000	1	120.6000	0.000	1	120.6000	0.000	1	121.8521	1.036	14	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6]C[5a])(N[5a]C[5a,6a])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])(C[5a]N[5a]S[5a])	C[5a](C[5a]C[5a,6]C[5a])(N[5a]C[5a,6a])(S[5a]C[5a,6a]){1|N<3>,5|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|H<1>,4|C<3>}	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])(C[5a]N[5a]S[5a]){1|H<1>,7|C<3>}	120.8860	0.000	1	120.8860	0.000	1	120.8860	0.000	1	121.8521	1.036	14	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S[5a])(C[5a]S[5a]H)	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])(S[5a]C[5a,6a]){1|H<1>,1|S<2>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S[5a])(C[5a]S[5a]H){1|H<1>,4|C<3>}	119.6410	0.000	1	119.6410	0.000	1	119.6410	0.000	1	121.8521	1.036	14	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a,6a])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S[5a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a,6a])(S[5a]C[5a,6a]){1|H<1>,5|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S[5a])(N[5a]C[5a]H){6|C<3>}	122.2972	0.528	4	122.2972	0.279	4	122.2972	0.279	4	121.8521	1.036	14	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(N[5a]C[5a])(S[5a]C[5a])	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]S[5a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]2)(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]S[5a])(C[5a]C[5a]2){2|N<2>,2|S<2>,3|C<3>}	121.2750	0.000	1	121.2750	0.000	1	122.2306	0.573	7	121.8521	1.036	14	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(N[5a]C[5a])(S[5a]C[5a])	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]S[5a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]2)(N[5a]C[5a])(S[5a]C[5a]){1|S<2>,2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H){1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]S[5a])(C[5a]C[5a]2){2|N<2>,2|S<2>,3|C<3>}	121.9712	0.156	4	121.9712	0.024	4	122.2306	0.573	7	121.8521	1.036	14	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(N[5a]N[5a])(S[5a]C[5a])	S[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)	C[5a](C[5a]N[5a]S[5a])(C[5a]N[5a]C)(C[5a]N[5a]O)	C[5a](C[5a]C[5a]2)(N[5a]N[5a])(S[5a]C[5a]){1|C<4>,1|N<2>,1|O<2>,2|N<3>}	S[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N){2|C<3>}	C[5a](C[5a]N[5a]S[5a])(C[5a]N[5a]C)(C[5a]N[5a]O){1|N<2>,2|C<3>}	123.2270	0.447	2	123.2270	0.200	2	122.2306	0.573	7	121.8521	1.036	14	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C[5a]-3:	C[5,5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5,5a]C[5a])(S[5a]C[5,5a])(C[5a]C[5a]2)	S[5a](C[5,5a]C[5,5a]C[5,6])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5,5a]C[5a])(S[5a]C[5,5a])(C[5a]C[5a]2){1|B<4>,1|C<4>,1|H<1>,1|S<2>,4|C<3>}	S[5a](C[5,5a]C[5,5a]C[5,6])(C[5a]C[5a]2){1|B<4>,1|N<3>,4|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,3|C<3>}	117.2340	0.000	1	117.2340	0.000	1	117.2340	0.000	1	118.0257	0.663	3	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[5a]C[5a]2)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(C[5a]S[5a]C)	C[5a](C[5a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[5a]C[5a]2){1|S<2>,2|C<4>,5|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2){1|H<1>,5|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(C[5a]S[5a]C){4|C<3>}	118.4215	0.622	2	118.4215	0.386	2	118.4215	0.386	2	118.0257	0.663	3	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:2:	3:2:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:O[5a]-2:	C[5a](C[5a]N[5a]O[5a])(C[5a]C[5a]H)(S[5a]N[5a])	S[5a](C[5a]C[5a]2)(N[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(N[5a]S[5a])(O[5a]C[5a])	C[5a](C[5a]N[5a]O[5a])(C[5a]C[5a]H)(S[5a]N[5a]){1|S<2>,2|C<3>}	S[5a](C[5a]C[5a]2)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[5a](C[5a]C[5a]S[5a])(N[5a]S[5a])(O[5a]C[5a]){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	121.4720	0.262	2	121.4720	0.068	2	121.4720	0.068	2	121.4720	0.068	2	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:2:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]Cl)(S[5a]N[5a])	S[5a](C[5a]C[5a]2)(N[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]S[5a]H)(N[5a]C[5a])	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]Cl)(S[5a]N[5a]){1|Cl<1>,1|C<3>,1|H<1>,1|S<2>}	S[5a](C[5a]C[5a]2)(N[5a]C[5a]){2|Cl<1>,1|C<3>,1|N<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]S[5a]H)(N[5a]C[5a]){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>}	119.1275	0.115	2	119.1275	0.013	2	119.1275	0.013	2	120.3093	4.197	3	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:2:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a,5a]N[5a])(C[5a]N[5a]C)(S[5a]N[5a])	S[5a](C[5a]C[5a]2)(N[5a]N[5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]S[5a])(N[5a]N[5a])	C[5a](C[5a]N[5a,5a]N[5a])(C[5a]N[5a]C)(S[5a]N[5a]){1|C<3>,2|N<2>}	S[5a](C[5a]C[5a]2)(N[5a]N[5a]){1|C<4>,1|N<2>,1|N<3>}	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]S[5a])(N[5a]N[5a]){1|C<3>,1|C<4>,1|S<2>,2|N<2>}	122.6730	0.000	1	122.6730	0.000	1	122.6730	0.000	1	120.3093	4.197	3	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:2:2:	C[5a,6]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a](C[5a,6]C[5a,6]S[6])(C[5a]N[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a]C[5a,6]C[5a])(C[5a]C[5a,6]H)	C[5a](C[5a]C[5a,6]S[5a])(N[5a]N[5a])(S[5a]C[5a])	C[5a](C[5a,6]C[5a,6]S[6])(C[5a]N[5a]S[5a])(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<2>}	S[5a](C[5a]C[5a,6]C[5a])(C[5a]C[5a,6]H){1|N<2>,3|S<2>}	C[5a](C[5a]C[5a,6]S[5a])(N[5a]N[5a])(S[5a]C[5a]){1|S<2>,3|C<3>}	116.4020	0.129	2	116.4020	0.017	2	116.4020	0.017	2	118.4831	3.278	55	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:2:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a,5a]C)(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a])(S[5a]C[5a,6a])	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a,5a]C)(S[5a]C[5a,5a]){1|S<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2){1|C<3>,1|N<2>,2|C<4>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a])(S[5a]C[5a,6a]){1|C<4>,4|C<3>}	116.5000	0.000	1	116.5000	0.000	1	117.3090	1.309	2	118.4831	3.278	55	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:2:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a,5a]H)(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a])(S[5a]C[5a,6a])	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a,5a]H)(S[5a]C[5a,5a]){1|S<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2){1|C<3>,1|N<2>,2|H<1>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a])(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	118.1180	0.000	1	118.1180	0.000	1	117.3090	1.309	2	118.4831	3.278	55	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:2:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:O[5a]-2:	C[5a](C[5a]N[5a]O[5a])(C[5a]C[5a,6a]H)(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]N[5a]O[5a])(C[5a]C[5a,6a]H)(S[5a]C[5a,6a]){4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a])(O[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	118.2740	0.000	1	118.2740	0.000	1	118.2740	0.000	1	118.4831	3.278	55	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:2:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N[5a]-2:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a])(N[5a]O[5a])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a]){1|C<3>,1|O<2>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){2|H<1>,2|N<2>}	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a])(N[5a]O[5a]){1|C<4>,1|H<1>,2|C<3>}	121.7360	0.000	1	121.7360	0.000	1	121.7360	0.000	1	118.4831	3.278	55	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:2:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:O[5a]-2:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]O[5a])(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(N[5a]N[5a])(O[5a]C[5a])	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]O[5a])(S[5a]C[5a]){1|N<2>,2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[5a](C[5a]C[5a]S[5a])(N[5a]N[5a])(O[5a]C[5a]){4|C<3>}	116.6428	1.626	4	116.6428	2.642	4	118.4865	3.361	13	118.4831	3.278	55	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:2:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:O[5a]-2:	C[5a](C[5a]N[5a]O[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(N[5a]N[5a])(O[5a]C[5a])	C[5a](C[5a]N[5a]O[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<2>,1|C<3>,1|H<1>,1|N<2>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|N<2>,1|O<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,3|C<3>}	119.3170	0.000	1	119.3170	0.000	1	118.4865	3.361	13	118.4831	3.278	55	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:2:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:O[5a]-2:	C[5a](C[5a]N[5a]O[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(N[5a]N[5a])(O[5a]C[5a])	C[5a](C[5a]N[5a]O[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|N<2>,1|O<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,3|C<3>}	120.3875	0.337	2	120.3875	0.114	2	118.4865	3.361	13	118.4831	3.278	55	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:2:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:O[5a]-2:	C[5a](C[5a]N[5a]O[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a])(O[5a]C[5a,6a])	C[5a](C[5a]N[5a]O[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)2{2|H<1>,2|N<2>,2|O<2>}	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a])(O[5a]C[5a,6a]){1|H<1>,4|C<3>}	119.3165	1.365	2	119.3165	1.864	2	118.4865	3.361	13	118.4831	3.278	55	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:2:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:O[5a]-2:	C[5a](C[5a]N[5a]O[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(N[5a]N[5a])(O[5a]C[5a])	C[5a](C[5a]N[5a]O[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Br<1>,1|C<3>,1|H<1>,1|N<2>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2){1|N<2>,1|O<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,3|C<3>}	118.9750	0.000	1	118.9750	0.000	1	118.4865	3.361	13	118.4831	3.278	55	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:2:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:O[5a]-2:	C[5a](C[5a]N[5a]O[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(N[5a]N[5a])(O[5a]C[5a])	C[5a](C[5a]N[5a]O[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,3|C<3>}	120.7850	0.000	1	120.7850	0.000	1	118.4865	3.361	13	118.4831	3.278	55	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:2:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:O[5a]-2:	C[5a](C[5a]N[5a]O[5a])(C[5a]C[5a]S)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(N[5a]N[5a])(O[5a]C[5a])	C[5a](C[5a]N[5a]O[5a])(C[5a]C[5a]S)(S[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|H<1>,1|N<2>,1|O<2>,1|S<4>}	C[5a](C[5a]C[5a]S[5a])(N[5a]N[5a])(O[5a]C[5a]){1|S<4>,3|C<3>}	117.6345	0.749	2	117.6345	0.561	2	118.4865	3.361	13	118.4831	3.278	55	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:2:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(N[5a]N[5a])(S[5a]C[5a])	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S[5a])(S[5a]C[5a]){1|N<2>,2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(N[5a]N[5a])(S[5a]C[5a]){4|C<3>}	116.8364	0.657	14	116.8364	0.431	14	118.5782	3.228	36	118.4831	3.278	55	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:2:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a]){1|N<2>,1|S<2>,4|C<3>}	S[5a](C[5a]C[5a]2)2{2|C<3>,2|N<2>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	116.3000	0.000	1	118.0154	0.925	5	118.5782	3.228	36	118.4831	3.278	55	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:2:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a]){1|N<2>,1|S<2>,4|C<3>}	S[5a](C[5a]C[5a]2)2{2|C<3>,2|N<2>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a]){2|H<1>,3|C<3>}	118.4442	0.085	4	118.0154	0.925	5	118.5782	3.228	36	118.4831	3.278	55	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:2:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,5a])(S[5a]C[5a,5a])	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|N<2>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,5a])(S[5a]C[5a,5a]){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	120.2970	0.000	1	120.2970	0.000	1	118.5782	3.228	36	118.4831	3.278	55	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:2:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6])(S[5a]C[5a,6])	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<2>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6])(S[5a]C[5a,6]){1|H<1>,4|C<3>}	121.8730	0.000	1	121.1303	0.672	3	118.5782	3.228	36	118.4831	3.278	55	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:2:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6])(S[5a]C[5a,6])	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|N<2>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6])(S[5a]C[5a,6]){1|C<4>,1|H<1>,3|C<3>}	120.7590	0.718	2	121.1303	0.672	3	118.5782	3.228	36	118.4831	3.278	55	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:2:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(N[5a]N[5a])(S[5a]C[5a])	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<2>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(N[5a]N[5a])(S[5a]C[5a]){1|H<1>,3|C<3>}	119.3645	0.578	2	119.3645	0.334	2	118.5782	3.228	36	118.4831	3.278	55	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:2:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a])(S[5a]C[5a,6a])	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)2{2|H<1>,2|N<2>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a])(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	119.3718	0.710	4	119.3718	0.504	4	118.5782	3.228	36	118.4831	3.278	55	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:2:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,5a])(S[5a]C[5a,5a])	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,5a])(S[5a]C[5a,5a]){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	120.7165	0.521	2	120.7165	0.272	2	118.5782	3.228	36	118.4831	3.278	55	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:2:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6])(S[5a]C[5a,6])	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Si<4>,1|C<4>,2|C<3>}	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]2){1|C<4>,1|H<1>,1|N<2>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6])(S[5a]C[5a,6]){1|C<4>,1|H<1>,3|C<3>}	119.1920	0.168	2	119.1920	0.028	2	118.5782	3.228	36	118.4831	3.278	55	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:2:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a](C[5a]N[5a]S[5a])(C[5a]N[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,5a])(S[5a]C[5a,5a])	C[5a](C[5a]N[5a]S[5a])(C[5a]N[5a]H)(S[5a]C[5a]){3|C<3>}	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,5a])(S[5a]C[5a,5a]){1|C<3>,1|H<1>,1|S<2>,2|N<2>}	121.1023	0.663	3	121.1023	0.440	3	118.5782	3.228	36	118.4831	3.278	55	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5,5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a]C[5,5a]C[5a])2	C[5a](C[5a]C[5,5a]S[5a])(C[5a]C[5,5a]H)(S[5a]C[5,5a])	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>}	S[5a](C[5a]C[5,5a]C[5a])2{2|S<2>,4|C<3>}	C[5a](C[5a]C[5,5a]S[5a])(C[5a]C[5,5a]H)(S[5a]C[5,5a]){5|C<3>}	117.3810	0.000	1	117.3810	0.000	1	117.6809	0.069	7	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5,5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a]C[5,5a]C[5a])2	C[5a](C[5a]C[5,5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	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>}	S[5a](C[5a]C[5,5a]C[5a])2{2|S<2>,4|C<3>}	C[5a](C[5a]C[5,5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	117.7308	0.249	6	117.7308	0.062	6	117.6809	0.069	7	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a,6,6]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a,6,6]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a,6,6]C[5a,6,6]C[3x6])(C[5a]C[5a,6,6]S[5a])(S[5a]C[5a])	S[5a](C[5a]C[5a,6,6]C[5a])(C[5a]C[5a,6,6]Br)	C[5a](C[5a,6,6]C[5a,6,6]C[3x6])(C[5a]C[5a,6,6]S[5a])(S[5a]C[5a])	C[5a](C[5a,6,6]C[5a,6,6]C[3x6])(C[5a]C[5a,6,6]S[5a])(S[5a]C[5a]){1|Br<1>,1|H<1>,2|C<3>,4|C<4>}	S[5a](C[5a]C[5a,6,6]C[5a])(C[5a]C[5a,6,6]Br){1|C<3>,1|S<2>,2|C<4>}	C[5a](C[5a,6,6]C[5a,6,6]C[3x6])(C[5a]C[5a,6,6]S[5a])(S[5a]C[5a]){1|Br<1>,1|H<1>,2|C<3>,4|C<4>}	120.0335	0.528	2	120.0335	0.279	2	120.0335	0.279	2	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[5a,6]S[5a])(S[5a]C[5a])	S[5a](C[5a]C[5a,6]C[5a])(C[5a]C[5a,6]H)	C[5a](C[5a,6]C[5a,6]S[6])(C[5a]C[5a,6]S[5a])(S[5a]C[5a])	C[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[5a,6]S[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,1|O<2>,1|S<2>,2|C<3>}	S[5a](C[5a]C[5a,6]C[5a])(C[5a]C[5a,6]H){1|C<3>,1|S<2>,2|O<2>}	C[5a](C[5a,6]C[5a,6]S[6])(C[5a]C[5a,6]S[5a])(S[5a]C[5a]){1|C<4>,1|O<2>,1|S<2>,3|C<3>}	122.6040	1.640	2	122.6040	2.691	2	121.1301	5.771	8	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[5a,6]S[5a])(S[5a]C[5a])	S[5a](C[5a]C[5a,6]C[5a])2	C[5a](C[5a,6]C[5a,6]S[6])(C[5a]C[5a,6]S[5a])(S[5a]C[5a])	C[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[5a,6]S[5a])(S[5a]C[5a]){1|C<4>,1|O<2>,1|S<2>,3|C<3>}	S[5a](C[5a]C[5a,6]C[5a])2{2|C<3>,2|O<2>,2|S<2>}	C[5a](C[5a,6]C[5a,6]S[6])(C[5a]C[5a,6]S[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,1|O<2>,1|S<2>,2|C<3>}	123.5160	2.232	2	123.5160	4.980	2	121.1301	5.771	8	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a,6]C[5a,6]S[6])(C[5a]C[5a,6]S[5a])(S[5a]C[5a])	S[5a](C[5a]C[5a,6]C[5a])(C[5a]C[5a,6]H)	C[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[5a,6]S[5a])(S[5a]C[5a])	C[5a](C[5a,6]C[5a,6]S[6])(C[5a]C[5a,6]S[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,1|O<2>,1|S<2>,2|C<3>}	S[5a](C[5a]C[5a,6]C[5a])(C[5a]C[5a,6]H){1|C<3>,3|S<2>}	C[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[5a,6]S[5a])(S[5a]C[5a]){1|C<4>,1|O<2>,1|S<2>,3|C<3>}	119.3970	1.332	2	119.3970	1.775	2	121.1301	5.771	8	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a,6]C[5a,6]S[6])(C[5a]C[5a,6]S[5a])(S[5a]C[5a])	S[5a](C[5a]C[5a,6]C[5a])2	C[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[5a,6]S[5a])(S[5a]C[5a])	C[5a](C[5a,6]C[5a,6]S[6])(C[5a]C[5a,6]S[5a])(S[5a]C[5a]){1|C<4>,1|O<2>,1|S<2>,3|C<3>}	S[5a](C[5a]C[5a,6]C[5a])2{2|C<3>,4|S<2>}	C[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[5a,6]S[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,1|O<2>,1|S<2>,2|C<3>}	119.0035	0.408	2	119.0035	0.166	2	121.1301	5.771	8	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a]C[5a,6]C[5a])(C[5a]C[5a,6]H)	C[5a](C[5a]C[5a,6]S[5a])(C[5a]C[5a]Br)(S[5a]C[5a])	C[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[5a]S[5a])(S[5a]C[5a]){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	S[5a](C[5a]C[5a,6]C[5a])(C[5a]C[5a,6]H){1|C<3>,1|S<2>,2|O<2>}	C[5a](C[5a]C[5a,6]S[5a])(C[5a]C[5a]Br)(S[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	123.7550	0.000	1	123.7550	0.000	1	123.5573	1.154	3	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a]C[5a,6]C[5a])(C[5a]C[5a,6]H)	C[5a](C[5a]C[5a,6]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	C[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[5a]S[5a])(S[5a]C[5a]){1|C<2>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	S[5a](C[5a]C[5a,6]C[5a])(C[5a]C[5a,6]H){1|C<3>,1|S<2>,2|O<2>}	C[5a](C[5a]C[5a,6]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|H<1>,2|C<3>,2|O<2>}	122.3980	0.000	1	122.3980	0.000	1	123.5573	1.154	3	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a]C[5a,6]C[5a])(C[5a]C[5a,6]H)	C[5a](C[5a]C[5a,6]S[5a])(C[5a]C[5a]S)(S[5a]C[5a])	C[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[5a]S[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,1|O<2>,1|S<2>,2|C<3>}	S[5a](C[5a]C[5a,6]C[5a])(C[5a]C[5a,6]H){1|C<3>,1|S<2>,2|O<2>}	C[5a](C[5a]C[5a,6]S[5a])(C[5a]C[5a]S)(S[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	124.5190	0.000	1	124.5190	0.000	1	123.5573	1.154	3	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a]C[5a,6a]C[5a])2	C[5a](C[5a]C[5a,6a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]S[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	S[5a](C[5a]C[5a,6a]C[5a])2{1|N<2>,1|N<3>,2|C<3>,2|S<2>}	C[5a](C[5a]C[5a,6a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	117.5410	0.000	1	120.3775	5.648	4	120.3775	5.648	4	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a]C[5a,6a]C[5a])2	C[5a](C[5a]C[5a,6a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]S[5a])(S[5a]C[5a]){1|H<1>,1|N<3>,4|C<3>}	S[5a](C[5a]C[5a,6a]C[5a])2{1|N<2>,1|N<3>,2|C<3>,2|S<2>}	C[5a](C[5a]C[5a,6a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	123.3040	0.000	1	120.3775	5.648	4	120.3775	5.648	4	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a]C[5a,6a]C[5a])2	C[5a](C[5a]C[5a,6a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]S[5a])(S[5a]C[5a]){1|N<3>,2|H<1>,4|C<3>}	S[5a](C[5a]C[5a,6a]C[5a])2{2|C<3>,2|N<3>,2|S<2>}	C[5a](C[5a]C[5a,6a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	120.3325	0.573	2	120.3775	5.648	4	120.3775	5.648	4	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5,5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5,5a]-3:S[5a]-2:	C[5a](C[5a]C[5,5a]S[5a])(C[5,5a]C[5,5a]2)(S[5a]C[5a])	S[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]Si)	C[5a](C[5a]C[5,5a]S[5a])(C[5,5a]C[5,5a]2)(S[5a]C[5a])	C[5a](C[5a]C[5,5a]S[5a])(C[5,5a]C[5,5a]2)(S[5a]C[5a]){2|Si<4>,5|C<3>}	S[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]Si){1|Si<4>,1|S<2>,2|C<3>}	C[5a](C[5a]C[5,5a]S[5a])(C[5,5a]C[5,5a]2)(S[5a]C[5a]){2|Si<4>,5|C<3>}	120.4270	0.573	2	120.4270	0.328	2	120.4270	0.328	2	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5,5a]S[5a])(C[5a]C[5,5a]H)(S[5a]C[5,5a])	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]2)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]S[5a])(S[5a]C[5a])	C[5a](C[5a]C[5,5a]S[5a])(C[5a]C[5,5a]H)(S[5a]C[5,5a]){5|C<3>}	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]2){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])(S[5a]C[5a]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	121.5850	0.000	1	121.5850	0.000	1	121.5850	0.000	1	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5,5a]C)(S[5a]C[5,5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5,5a]C)(S[5a]C[5,5a]){1|H<1>,1|S<4>,3|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]2){1|C<4>,1|S<4>,2|C<3>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	117.1360	0.614	2	117.1360	0.377	2	119.8671	2.883	9	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5,5a]H)(S[5a]C[5,5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5,5a]H)(S[5a]C[5,5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5,5a]H)(S[5a]C[5,5a]){1|H<1>,4|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]2){1|H<1>,2|S<2>,3|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5,5a]H)(S[5a]C[5,5a]){1|H<1>,4|C<3>}	121.1455	0.291	2	121.1455	0.084	2	119.8671	2.883	9	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5,5a]H)(S[5a]C[5,5a])	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5,5a]H)(S[5a]C[5,5a]){1|C<4>,1|H<1>,3|C<3>}	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]2){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	121.0065	0.129	2	121.0065	0.017	2	119.8671	2.883	9	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5,5a]H)(S[5a]C[5,5a])	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,5a]H)(S[5a]C[5a,5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5,5a]H)(S[5a]C[5,5a]){1|H<1>,1|S<4>,3|C<3>}	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]2){1|S<2>,1|S<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,5a]H)(S[5a]C[5a,5a]){1|H<1>,1|S<2>,3|C<3>}	119.1590	0.000	1	119.1590	0.000	1	119.8671	2.883	9	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5,5a]H)(S[5a]C[5,5a])	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,6a]H)(S[5a]C[5a,6a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5,5a]H)(S[5a]C[5,5a]){1|H<1>,1|N<3>,3|C<3>}	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]2){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,6a]H)(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	120.9890	0.000	1	120.9890	0.000	1	119.8671	2.883	9	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5,5a]H)(S[5a]C[5,5a])	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5,5a]H)(S[5a]C[5,5a]){1|H<1>,4|C<3>}	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]2){1|H<1>,1|N<3>,1|O<1>,1|S<2>,2|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	120.0800	0.000	1	120.0800	0.000	1	119.8671	2.883	9	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,5a]H)(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2)	C[5a](C[5a]N[5a,5a]C[5a])(C[5a]C[5a]S[5a])(N[5a]C[5a,5a])	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,5a]H)(S[5a]C[5a,5a]){1|N<3>,1|S<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a,5a]C[5a])(C[5a]C[5a]S[5a])(N[5a]C[5a,5a]){1|B<4>,1|H<1>,1|S<2>,4|C<3>}	122.7750	0.000	1	122.7750	0.000	1	122.7750	0.000	1	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a,5a]H)(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,5a]H)(O[5a]C[5a,5a])	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a,5a]H)(S[5a]C[5a,5a]){1|H<1>,1|O<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2){2|C<3>,2|H<1>,2|O<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,5a]H)(O[5a]C[5a,5a]){1|H<1>,1|S<2>,3|C<3>}	119.4560	0.000	1	119.4560	0.000	1	119.4560	0.000	1	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a,5a]Br)(C[5a]C[5a]S[5a])(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a,5a]Br)(C[5a]C[5a]S[5a])(S[5a]C[5a,5a]){1|H<1>,1|S<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2){2|Br<1>,2|C<3>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Br<1>,2|C<3>,2|H<1>}	117.5430	0.000	1	117.5430	0.000	1	119.2654	2.424	14	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,5a]C)(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,5a]C)(S[5a]C[5a,5a]){1|H<1>,1|S<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2){2|S<2>,4|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	116.9290	0.000	1	116.9290	0.000	1	119.2654	2.424	14	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,5a]H)(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,5a]H)(S[5a]C[5a,5a]){1|C<4>,1|S<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]2){1|H<1>,2|C<3>,3|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){2|C<3>,3|H<1>}	120.7330	2.669	2	120.7330	7.122	2	119.2654	2.424	14	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,5a]H)(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,5a]H)(S[5a]C[5a,5a]){1|H<1>,1|S<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]2){1|H<1>,2|C<3>,3|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	118.3760	0.667	4	118.8357	0.830	6	119.2654	2.424	14	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,5a]H)(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,5a]H)(S[5a]C[5a,5a]){1|H<1>,1|S<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]2){1|H<1>,2|C<3>,3|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	119.7550	0.526	2	118.8357	0.830	6	119.2654	2.424	14	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,5a]H)(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5,5a]H)(S[5a]C[5,5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,5a]H)(S[5a]C[5a,5a]){1|H<1>,1|S<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2){2|C<3>,2|H<1>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5,5a]H)(S[5a]C[5,5a]){1|H<1>,1|S<4>,3|C<3>}	120.1820	0.000	1	120.1820	0.000	1	119.2654	2.424	14	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,5a]H)(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,5a]H)(S[5a]C[5a,5a]){1|C<4>,1|S<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2){2|C<3>,2|H<1>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){2|C<3>,3|H<1>}	119.2070	0.000	1	119.2070	0.000	1	119.2654	2.424	14	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,5a]S)(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,5a]S)(S[5a]C[5a,5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,5a]S)(S[5a]C[5a,5a]){1|S<2>,1|S<3>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2){1|H<1>,2|C<3>,3|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,5a]S)(S[5a]C[5a,5a]){2|S<2>,3|C<3>}	119.8150	0.000	1	120.6870	1.521	2	119.2654	2.424	14	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,5a]S)(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,5a]S)(S[5a]C[5a,5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,5a]S)(S[5a]C[5a,5a]){2|S<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2){1|H<1>,1|S<3>,2|C<3>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,5a]S)(S[5a]C[5a,5a]){1|S<2>,1|S<3>,3|C<3>}	121.5590	0.000	1	120.6870	1.521	2	119.2654	2.424	14	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a,6a]C[5])(C[5a]C[5a]N[5a])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]S[5a]H)(N[5a]C[5a])	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>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2){1|H<1>,1|N<2>,4|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]S[5a]H)(N[5a]C[5a]){4|C<3>}	119.5870	0.827	2	119.5870	0.684	2	118.0705	6.251	4	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]S[5a]H)(N[5a]C[5a])	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(S[5a]C[5a,6a]){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2){1|H<1>,1|N<2>,4|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]S[5a]H)(N[5a]C[5a]){4|C<3>}	114.4480	0.000	1	114.4480	0.000	1	118.0705	6.251	4	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,6a]H)(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[6a]N[5a])(N[5a]N[5a])	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,6a]H)(S[5a]C[5a,6a]){1|N<2>,1|N<3>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2){1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[6a]N[5a])(N[5a]N[5a]){2|H<1>,4|C<3>}	118.6600	0.000	1	118.6600	0.000	1	118.0705	6.251	4	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]S[5a])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]S[5a])(S[5a]C[5a,6a])	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]S[5a])(S[5a]C[5a,6a]){7|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2){1|H<1>,1|S<2>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]S[5a])(S[5a]C[5a,6a]){7|C<3>}	119.5080	0.378	3	119.5080	0.143	3	120.8329	9.728	11	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]S[5a])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]S[5a])(S[5a]C[5a,6a]){1|C<4>,1|S<2>,5|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2){1|H<1>,1|S<2>,4|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|Br<1>,1|H<1>,3|C<3>}	118.5420	0.000	1	118.5320	0.000	2	120.8329	9.728	11	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]S[5a])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]S[5a])(S[5a]C[5a,6a]){1|C<4>,1|S<2>,5|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2){1|H<1>,1|S<2>,4|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){2|H<1>,3|C<3>}	118.5220	0.000	1	118.5320	0.000	2	120.8329	9.728	11	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a,6a]Sn)(C[5a]C[5a]S[5a])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a,6a]Sn)(C[5a]C[5a]S[5a])(S[5a]C[5a,6a])	C[5a](C[5a]C[5a,6a]Sn)(C[5a]C[5a]S[5a])(S[5a]C[5a,6a]){4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2){1|Sn<4>,1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a]C[5a,6a]Sn)(C[5a]C[5a]S[5a])(S[5a]C[5a,6a]){4|C<3>}	125.7680	0.209	2	125.7680	0.044	2	120.8329	9.728	11	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,6a]H)(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5,5a]H)(S[5a]C[5,5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,6a]H)(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2){1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5,5a]H)(S[5a]C[5,5a]){1|H<1>,1|N<3>,3|C<3>}	117.4280	0.000	1	117.4280	0.000	1	120.8329	9.728	11	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,6a]H)(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,6a]H)(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2){1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	117.9540	0.000	1	117.9540	0.000	1	120.8329	9.728	11	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,6a]N)(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,6a]N)(S[5a]C[5a,6a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,6a]N)(S[5a]C[5a,6a]){1|N<2>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,6a]N)(S[5a]C[5a,6a]){1|N<2>,4|C<3>}	123.3280	0.226	2	123.3280	0.051	2	120.8329	9.728	11	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5,5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]S[5a])(S[5a]C[5a])	C[5a](C[5a]C[5,5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|S<2>,2|H<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>}	123.4680	0.702	6	123.4680	0.493	6	123.4680	0.493	6	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a,6]S[5a])(C[5a]C[5a]Br)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[5a]S[5a])(S[5a]C[5a])	C[5a](C[5a]C[5a,6]S[5a])(C[5a]C[5a]Br)(S[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|Br<1>,1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[5a]S[5a])(S[5a]C[5a]){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	119.8690	0.000	1	119.8690	0.000	1	120.0597	1.231	3	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a,6]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[5a]S[5a])(S[5a]C[5a])	C[5a](C[5a]C[5a,6]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|H<1>,2|C<3>,2|O<2>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<2>,1|C<3>,1|O<2>,1|S<2>}	C[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[5a]S[5a])(S[5a]C[5a]){1|C<2>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	121.2520	0.000	1	121.2520	0.000	1	120.0597	1.231	3	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a,6]S[5a])(C[5a]C[5a]S)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[5a]S[5a])(S[5a]C[5a])	C[5a](C[5a]C[5a,6]S[5a])(C[5a]C[5a]S)(S[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,2|S<2>}	C[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[5a]S[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,1|O<2>,1|S<2>,2|C<3>}	119.0580	0.000	1	119.0580	0.000	1	120.0597	1.231	3	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:O[5a]-2:	C[5a](C[5a]C[5a,6a]O[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]O[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,4|C<3>}	S[5a](C[5a]C[5a]2)2{1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(O[5a]C[5a]){2|H<1>,5|C<3>}	118.5690	0.000	1	118.5690	0.000	1	118.5690	0.000	1	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a,6a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]S[5a])(S[5a]C[5a])	C[5a](C[5a]C[5a,6a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]S[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	119.7600	0.000	1	119.4017	1.323	3	119.7978	1.509	4	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a,6a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]S[5a])(S[5a]C[5a])	C[5a](C[5a]C[5a,6a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]S[5a])(S[5a]C[5a]){1|N<3>,2|H<1>,4|C<3>}	119.2225	1.566	2	119.4017	1.323	3	119.7978	1.509	4	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a,6a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2)	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]S[5a])(S[5a]C[5a])	C[5a](C[5a]C[5a,6a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]S[5a])(S[5a]C[5a]){1|H<1>,1|N<3>,4|C<3>}	120.9860	0.000	1	120.9860	0.000	1	119.7978	1.509	4	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(N[5a]N[5a]){1|H<1>,1|O<2>,3|C<3>}	120.8860	0.000	1	120.8860	0.000	1	120.7592	3.943	12	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]N[5a])	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	122.0260	0.922	3	122.0633	1.711	6	120.7592	3.943	12	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]N[5a])	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	122.3290	0.000	1	122.0633	1.711	6	120.7592	3.943	12	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]N[5a])	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]N[5a]){1|Mg<6>,2|C<3>,2|H<1>}	121.9865	2.601	2	122.0633	1.711	6	120.7592	3.943	12	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]N)(N[5a]O[5a])	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]N)(N[5a]O[5a]){1|C<4>,1|H<1>,2|C<3>}	117.7830	0.000	1	117.7830	0.000	1	120.7592	3.943	12	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]C)(N[5a]N[5a])	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]C)(N[5a]N[5a]){2|C<3>,2|H<1>}	117.8630	0.000	1	117.8630	0.000	1	120.7592	3.943	12	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]N[5a])2(S[5a]C[5a])	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]S[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]N[5a])2(S[5a]C[5a]){1|C<4>,1|N<2>,1|S<2>,3|C<3>}	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2){1|N<2>,4|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]S[5a]C)(N[5a]C[5a]){1|N<2>,3|C<3>}	120.0663	1.720	3	120.0663	2.957	3	120.7592	3.943	12	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]S[5a])(O[5a]C[5a,6a])	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]C)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]S[5a])(O[5a]C[5a,6a]){1|C<4>,1|S<2>,5|C<3>}	118.8730	0.000	1	118.8730	0.000	1	121.2280	3.370	7	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,5a]H)(O[5a]C[5a,5a])	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|O<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,5a]H)(O[5a]C[5a,5a]){1|H<1>,1|S<2>,3|C<3>}	119.6740	0.000	1	119.6740	0.000	1	121.2280	3.370	7	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(O[5a]N[5a])	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|N<2>,3|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|O<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(O[5a]N[5a]){1|H<1>,3|C<3>}	123.5040	0.000	1	123.5040	0.000	1	121.2280	3.370	7	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]N)(O[5a]C[5a])	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|O<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]N)(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	121.4430	0.000	1	121.4430	0.000	1	121.2280	3.370	7	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[6a]N[5a])(O[5a]C[5a])	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|O<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[6a]N[5a])(O[5a]C[5a]){1|H<1>,5|C<3>}	121.1820	0.000	1	121.1820	0.000	1	121.2280	3.370	7	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)2{1|C<3>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(O[5a]C[5a]){2|H<1>,3|C<3>}	123.6860	0.000	1	121.9600	5.958	2	121.2280	3.370	7	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)2{1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(O[5a]C[5a]){2|C<3>,3|H<1>}	120.2340	0.000	1	121.9600	5.958	2	121.2280	3.370	7	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S[5a])(S[5a]C[5a])	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S[5a])(S[5a]C[5a]){2|H<1>,5|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S[5a])(S[5a]C[5a]){2|H<1>,5|C<3>}	120.7180	0.292	4	120.7180	0.085	4	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]N[5a]N)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(S[5a]C[5a]){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]N[5a]N){1|S<2>,2|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	118.8840	0.000	1	118.8840	0.000	1	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a]){1|H<1>,6|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|S<2>,3|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a]){1|Si<4>,1|H<1>,5|C<3>}	117.6810	0.189	4	117.6810	0.036	4	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a]){1|Br<1>,1|C<4>,1|H<1>,1|S<2>,3|C<3>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|Br<1>,1|H<1>,3|C<3>}	117.4720	0.000	1	117.4720	0.000	1	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a]){1|H<1>,6|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2){1|H<1>,1|S<2>,4|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a]){1|Si<4>,1|H<1>,5|C<3>}	119.2823	0.928	6	119.2823	0.861	6	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]Cl)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a]){1|Cl<1>,1|H<1>,5|C<3>}	S[5a](C[5a]C[5a]Cl)(C[5a]C[5a]2){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a]){1|Cl<1>,1|H<1>,5|C<3>}	119.6793	0.816	16	119.6793	0.666	16	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a]){1|Si<4>,1|H<1>,5|C<3>}	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]2){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a]){1|H<1>,6|C<3>}	119.4897	0.787	10	120.3532	1.644	18	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a]){1|Si<4>,1|H<1>,5|C<3>}	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]2){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a]){1|Si<4>,6|C<3>}	120.3935	0.688	2	120.3532	1.644	18	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a]){1|Si<4>,6|C<3>}	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]2){1|S<2>,3|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a]){1|Si<4>,1|H<1>,5|C<3>}	121.7275	0.291	2	120.3532	1.644	18	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a]){1|Si<4>,6|C<3>}	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]2){1|S<2>,3|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a]){1|Si<4>,6|C<3>}	121.8045	0.846	4	120.3532	1.644	18	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a]){1|Si<4>,2|H<1>,4|C<3>}	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]2){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,4|C<3>}	119.6520	1.112	2	119.6520	1.236	2	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]B)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]P)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]B)(S[5a]C[5a]){1|C<2>,1|H<1>,1|P<4>,2|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|B<4>,1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]P)(S[5a]C[5a]){1|B<4>,1|C<2>,1|H<1>,2|C<3>}	115.9330	0.505	2	116.9958	3.514	4	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]B)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]P)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]B)(S[5a]C[5a]){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|B<3>,1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]P)(S[5a]C[5a]){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	119.7570	0.000	1	116.9958	3.514	4	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]B)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]P)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]B)(S[5a]C[5a]){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|B<4>,1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]P)(S[5a]C[5a]){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	116.3600	0.000	1	116.9958	3.514	4	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]B)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]N)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]B)(S[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|B<3>,1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]N)(S[5a]C[5a]){1|B<3>,2|C<3>,2|H<1>}	117.9140	0.000	1	117.9140	0.000	1	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]B)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]B)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)2{1|B<3>,1|H<1>,2|C<3>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	114.7170	0.000	1	114.6540	0.008	2	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]B)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]B)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)2{1|B<4>,1|H<1>,2|C<3>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	114.5910	0.000	1	114.6540	0.008	2	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]B)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]P)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]B)(S[5a]C[5a]){1|H<1>,1|P<4>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2){1|B<4>,1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]P)(S[5a]C[5a]){1|B<4>,1|H<1>,3|C<3>}	116.6685	0.609	2	116.6685	0.371	2	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Bi)(S[5a]C[5a])	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Bi)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Bi)(S[5a]C[5a]){1|Si<4>,1|C<4>,2|C<3>}	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]2){1|Bi<3>,1|C<3>,1|C<4>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Bi)(S[5a]C[5a]){1|Si<4>,1|C<4>,2|C<3>}	128.4265	0.588	2	128.4375	0.189	4	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Bi)(S[5a]C[5a])	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Bi)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Bi)(S[5a]C[5a]){1|Si<4>,1|H<1>,2|C<3>}	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]2){1|Bi<3>,1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Bi)(S[5a]C[5a]){1|Si<4>,1|H<1>,2|C<3>}	128.4485	0.472	2	128.4375	0.189	4	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|S<2>,2|C<4>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	117.0395	0.542	4	117.8185	1.635	6	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|C<4>,3|C<3>}	119.3765	0.114	2	117.8185	1.635	6	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]S[5a])(S[5a]C[5a,6a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]S[5a])(S[5a]C[5a,6a]){1|C<4>,1|S<2>,5|C<3>}	118.6750	0.000	1	118.6750	0.000	1	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,5a]H)(S[5a]C[5a,5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,5a]H)(S[5a]C[5a,5a]){1|C<4>,1|S<2>,3|C<3>}	118.4073	0.857	3	118.4073	0.735	3	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	120.5270	0.844	4	119.3147	3.980	6	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){2|H<1>,3|C<3>}	116.8900	0.352	2	119.3147	3.980	6	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<2>,1|C<3>,1|O<2>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<2>,1|H<1>,3|C<3>}	119.6060	0.915	2	118.4006	1.815	10	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<2>,1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Br<1>,1|C<2>,1|C<4>,2|C<3>}	118.8660	0.000	1	118.4006	1.815	10	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<2>,1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<2>,1|H<1>,3|C<3>}	118.4276	1.097	5	118.4006	1.815	10	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	118.1250	0.000	1	118.4006	1.815	10	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,4|C<3>}	115.6650	0.000	1	118.4006	1.815	10	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]O)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|H<1>,2|C<3>,2|O<2>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<2>,1|C<3>,1|O<2>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]O)(S[5a]C[5a]){1|H<1>,2|C<2>,2|C<3>}	121.4440	0.000	1	121.4440	0.000	1	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)2{1|C<4>,1|H<1>,2|C<3>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	119.1279	0.835	8	119.1279	0.697	8	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)2{2|C<3>,2|C<4>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	118.2440	0.386	2	118.0683	0.078	7	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)2{2|C<3>,2|C<4>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	117.8893	0.258	3	118.0683	0.078	7	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)2{1|C<4>,1|H<1>,2|C<3>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|C<4>,3|C<3>}	118.1610	0.109	2	118.0683	0.078	7	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]B[5])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	S[5a](C[5a]C[5a]B[5])(C[5a]C[5a]2){1|C<3>,1|C<4>,1|H<1>,1|S<2>,2|O<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	120.1025	0.363	2	120.1025	0.132	2	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2)	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]S[5a])(S[5a]C[5a,6a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|Br<1>,1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]S[5a])(S[5a]C[5a,6a]){1|C<4>,1|S<2>,5|C<3>}	117.3980	0.000	1	117.3980	0.000	1	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|Br<1>,1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a]){1|Br<1>,1|C<4>,1|H<1>,1|S<2>,3|C<3>}	118.4280	0.000	1	118.4280	0.000	1	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	119.8407	2.305	6	119.8407	5.314	6	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|Br<1>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	117.7600	0.000	1	117.7600	0.000	1	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]O)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|Br<1>,1|H<1>,1|O<2>,2|C<3>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]O)(S[5a]C[5a]){1|Br<1>,1|H<1>,3|C<3>}	117.6810	0.000	1	117.6810	0.000	1	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	116.8575	0.276	2	116.8575	0.076	2	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]B[5,5]C[5a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	S[5a](C[5a]B[5,5]C[5a])(C[5a]C[5a]2){1|C<3>,1|C<4>,1|H<1>,1|N<4>,1|S<2>,2|O<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	122.3435	1.068	2	122.3435	1.142	2	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]B[5a]C[5a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|B<3>,2|C<3>,2|H<1>}	S[5a](C[5a]B[5a]C[5a])(C[5a]C[5a]2){1|C<3>,1|S<2>,2|H<1>,2|N<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	120.3255	0.326	2	120.3255	0.106	2	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]B)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|B<3>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]B){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	120.9740	0.000	1	121.1385	0.054	2	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]B)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|B<3>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]B){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	121.3030	0.000	1	121.1385	0.054	2	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5,5a]C)(S[5a]C[5,5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5,5a]C)(S[5a]C[5,5a]){1|H<1>,1|S<4>,3|C<3>}	123.7425	0.114	2	123.7425	0.013	2	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,5a]H)(S[5a]C[5a,5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,5a]H)(S[5a]C[5a,5a]){1|H<1>,1|S<2>,3|C<3>}	120.8345	0.234	4	120.8345	0.055	4	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]B)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]B)(S[5a]C[5a]){2|H<1>,3|C<3>}	118.7640	0.000	1	118.4475	0.200	2	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]B)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]B)(S[5a]C[5a]){2|H<1>,3|C<3>}	118.1310	0.000	1	118.4475	0.200	2	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	125.1760	0.211	2	125.3928	0.084	4	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|C<4>,3|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){2|H<1>,3|C<3>}	125.6095	0.141	2	125.3928	0.084	4	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<2>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Br<1>,2|C<3>,2|H<1>}	119.9060	0.000	1	120.2611	2.562	48	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<2>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<2>,2|C<3>,2|H<1>}	120.2930	0.096	2	120.2611	2.562	48	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<2>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	120.2790	0.622	2	120.2611	2.562	48	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<2>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	120.1060	0.000	1	120.2611	2.562	48	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<2>,2|C<3>,2|H<1>}	119.6605	1.927	2	120.2611	2.562	48	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|P<4>,2|C<3>,2|H<1>}	119.8880	0.000	1	120.2611	2.562	48	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Pt<4>,1|H<1>,3|C<3>}	115.0590	0.000	1	120.2611	2.562	48	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,1|N<2>,3|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	119.7810	0.000	1	120.2611	2.562	48	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,1|N<3>,3|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	120.3950	0.000	1	120.2611	2.562	48	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Br<1>,2|C<3>,2|H<1>}	119.9540	0.000	1	120.2611	2.562	48	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,1|N<3>,3|C<3>}	121.1150	0.000	1	120.2611	2.562	48	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	120.4058	0.778	5	120.2611	2.562	48	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	120.4770	1.725	29	120.2611	2.562	48	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]S)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,1|S<2>,3|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]S)(S[5a]C[5a]){1|H<1>,1|S<2>,3|C<3>}	125.6425	0.005	2	125.6425	0.000	2	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a,5a]Br)(C[5a]C[5a]S[5a])(S[5a]C[5a,5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Br<1>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a,5a]Br)(C[5a]C[5a]S[5a])(S[5a]C[5a,5a]){1|H<1>,1|S<2>,3|C<3>}	124.3930	0.000	1	124.3930	0.000	1	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,5a]C)(S[5a]C[5a,5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,5a]C)(S[5a]C[5a,5a]){1|H<1>,1|S<2>,3|C<3>}	120.6530	0.000	1	120.6530	0.000	1	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,5a]H)(S[5a]C[5a,5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,5a]H)(S[5a]C[5a,5a]){1|H<1>,1|S<2>,3|C<3>}	120.2130	0.048	2	120.2130	0.002	2	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,6a]H)(S[5a]C[5a,6a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,6a]H)(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	121.6480	0.000	1	121.6480	0.000	1	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	119.7410	0.000	1	120.5962	1.791	46	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|B<3>,2|C<3>,2|H<1>}	120.4930	0.266	2	120.5962	1.791	46	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	120.6600	0.000	1	120.5962	1.791	46	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	118.6660	0.000	1	120.5962	1.791	46	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Ge<4>,2|C<3>,2|H<1>}	120.9380	0.000	1	120.5962	1.791	46	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,1|N<2>,3|C<3>}	121.0350	0.000	1	120.5962	1.791	46	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,1|N<3>,3|C<3>}	120.5530	0.000	1	120.5962	1.791	46	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,1|P<4>,3|C<3>}	120.6613	1.241	3	120.5962	1.791	46	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	121.7210	0.000	1	120.5962	1.791	46	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|P<4>,2|C<3>,2|H<1>}	120.6757	1.831	12	120.5962	1.791	46	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	119.4817	1.721	3	120.5962	1.791	46	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Si<4>,2|C<3>,2|H<1>}	121.0580	0.000	1	120.5962	1.791	46	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	120.7516	1.191	18	120.5962	1.791	46	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]S)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]S)(S[5a]C[5a]){1|H<1>,1|S<2>,3|C<3>}	122.3038	1.536	6	122.3038	2.358	6	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]N){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(S[5a]C[5a]){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	118.0350	0.000	1	118.0350	0.000	1	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]N){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	117.9760	0.066	2	117.9760	0.004	2	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,1|N<3>,3|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]N){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	120.9040	0.000	1	120.8065	0.019	2	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]N){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|B<3>,2|C<3>,2|H<1>}	120.7090	0.000	1	120.8065	0.019	2	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[6a]N[5a])(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]N){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[6a]N[5a])(S[5a]C[5a]){1|H<1>,1|N<3>,4|C<3>}	122.5013	1.498	3	122.5013	2.245	3	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]P)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|P<4>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]P){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	120.6390	0.000	1	120.4840	2.139	14	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]P)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|P<4>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]P){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	120.4721	1.521	13	120.4840	2.139	14	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]S)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,2|C<3>,2|S<2>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]S){1|C<3>,1|H<1>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Br<1>,2|C<3>,2|H<1>}	118.7530	0.379	2	120.1600	0.673	27	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]S)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]S){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Br<1>,2|C<3>,2|H<1>}	120.0290	0.000	1	120.1600	0.673	27	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]S)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]S){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	120.5657	0.709	10	120.1600	0.673	27	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]S)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]S){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	120.4327	0.962	3	120.1600	0.673	27	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]S)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]S){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	119.9846	0.693	11	120.1600	0.673	27	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5,5a]H)(S[5a]C[5,5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)2{2|C<3>,2|H<1>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5,5a]H)(S[5a]C[5,5a]){1|C<4>,1|H<1>,3|C<3>}	120.0845	0.251	2	120.7420	1.328	3	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5,5a]H)(S[5a]C[5,5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)2{2|C<3>,2|H<1>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5,5a]H)(S[5a]C[5,5a]){1|H<1>,4|C<3>}	122.0570	0.000	1	120.7420	1.328	3	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,4|C<3>}	S[5a](C[5a]C[5a]2)2{2|C<3>,2|H<1>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a]){1|Si<4>,2|H<1>,4|C<3>}	119.4900	0.511	2	119.4900	0.261	2	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<2>,1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)2{2|C<3>,2|H<1>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	121.9935	1.869	2	121.7159	5.250	18	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<2>,1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)2{2|C<3>,2|H<1>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){2|C<3>,3|H<1>}	122.1438	0.300	5	121.7159	5.250	18	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)2{2|C<3>,2|H<1>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|Br<1>,2|C<3>,2|H<1>}	122.9250	0.000	1	121.7159	5.250	18	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)2{2|C<3>,2|H<1>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	117.8710	0.069	4	121.7159	5.250	18	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)2{2|C<3>,2|H<1>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	123.2610	0.000	1	121.7159	5.250	18	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)2{2|C<3>,2|H<1>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	123.0850	0.010	2	121.7159	5.250	18	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,4|C<3>}	S[5a](C[5a]C[5a]2)2{2|C<3>,2|H<1>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){2|C<3>,3|H<1>}	124.2480	0.000	1	121.7159	5.250	18	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|C<4>,3|C<3>}	S[5a](C[5a]C[5a]2)2{1|C<4>,1|H<1>,2|C<3>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){2|H<1>,3|C<3>}	124.0465	0.558	2	121.7159	5.250	18	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)2{1|C<4>,1|H<1>,2|C<3>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	119.5030	0.000	1	120.5979	1.960	93	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)2{1|C<4>,1|H<1>,2|C<3>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	120.5450	1.844	6	120.5979	1.960	93	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,1|P<4>,3|C<3>}	S[5a](C[5a]C[5a]2)2{1|H<1>,1|P<4>,2|C<3>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	119.7033	2.481	3	120.5979	1.960	93	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)2{1|C<3>,1|N<2>,1|N<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	120.9050	0.000	1	120.5979	1.960	93	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)2{1|C<3>,1|N<2>,1|N<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	120.0540	0.000	1	120.5979	1.960	93	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)2{1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	121.4360	0.000	1	120.5979	1.960	93	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)2{1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	119.8160	0.000	1	120.5979	1.960	93	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)2{1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	120.5238	0.652	5	120.5979	1.960	93	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)2{2|C<3>,2|H<1>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Br<1>,2|C<3>,2|H<1>}	121.5400	0.642	4	120.5979	1.960	93	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)2{2|C<3>,2|H<1>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	121.0488	0.622	6	120.5979	1.960	93	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)2{2|C<3>,2|H<1>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	120.4938	0.720	12	120.5979	1.960	93	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)2{2|C<3>,2|H<1>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Si<4>,2|C<3>,2|H<1>}	119.8920	0.000	1	120.5979	1.960	93	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)2{2|C<3>,2|H<1>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	120.1268	0.806	4	120.5979	1.960	93	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)2{2|C<3>,2|H<1>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	120.6408	1.660	47	120.5979	1.960	93	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]P)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,1|P<3>,3|C<3>}	S[5a](C[5a]C[5a]2)2{2|C<3>,2|H<1>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]P)(S[5a]C[5a]){2|C<3>,3|H<1>}	121.7890	2.493	2	121.7890	6.216	2	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Br<1>,1|C<2>,1|C<4>,2|C<3>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){2|C<3>,3|H<1>}	123.0140	0.000	1	123.0140	0.000	1	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Br<1>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<2>,2|C<3>,2|H<1>}	120.2180	0.000	1	119.9537	0.421	9	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Br<1>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,2|C<3>,2|S<2>}	119.7210	0.191	2	119.9537	0.421	9	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Br<1>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	120.4460	0.000	1	119.9537	0.421	9	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Br<1>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	119.8954	0.851	5	119.9537	0.421	9	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]2){1|C<3>,1|S<2>,2|H<1>,2|N<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	118.9405	1.136	4	118.9405	1.290	4	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]2){1|S<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	120.7900	0.000	1	119.0798	17.803	5	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Pt<4>,1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]2){1|Pt<4>,1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	111.7730	0.000	1	119.0798	17.803	5	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]2){1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|B<3>,2|C<3>,2|H<1>}	120.3500	0.000	1	119.0798	17.803	5	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]2){1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	121.2430	1.981	2	119.0798	17.803	5	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2){1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){2|C<3>,3|H<1>}	122.6970	0.000	1	122.6970	0.000	1	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	121.2035	0.547	4	120.5942	0.685	37	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2){1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<2>,2|C<3>,2|H<1>}	121.0870	0.000	1	120.5942	0.685	37	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2){1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	120.1050	0.650	4	120.5942	0.685	37	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2){1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	120.5594	0.856	28	120.5942	0.685	37	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]Ge)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Ge<4>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]Ge)(C[5a]C[5a]2){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	120.4750	0.000	1	120.4750	0.000	1	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Si<4>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]2){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	120.4430	0.000	1	120.9655	0.546	2	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Si<4>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]2){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	121.4880	0.000	1	120.9655	0.546	2	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Ir)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]P)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Ir)(S[5a]C[5a]){1|P<4>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|Ir<6>,1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]P)(S[5a]C[5a]){1|Ir<6>,1|H<1>,3|C<3>}	118.0670	0.000	1	118.0670	0.000	1	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]N)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]B)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]N)(S[5a]C[5a]){1|B<3>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]B)(S[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	119.5970	0.000	1	119.5970	0.000	1	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]O)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]O)(S[5a]C[5a]){1|H<1>,2|C<2>,2|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<2>,1|C<3>,1|O<2>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|H<1>,2|C<3>,2|O<2>}	122.3870	0.000	1	122.3870	0.000	1	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]O)(S[5a]C[5a])	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]O)(S[5a]C[5a]){1|Br<1>,1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2){1|C<3>,1|H<1>,1|O<2>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|Br<1>,1|H<1>,1|O<2>,2|C<3>}	124.9940	0.000	1	124.9940	0.000	1	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]P)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]B)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]P)(S[5a]C[5a]){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|H<1>,1|P<4>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]B)(S[5a]C[5a]){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	117.0620	0.000	1	117.6420	0.664	4	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]P)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]B)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]P)(S[5a]C[5a]){1|B<4>,1|C<2>,1|H<1>,2|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|H<1>,1|P<4>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]B)(S[5a]C[5a]){1|C<2>,1|H<1>,1|P<4>,2|C<3>}	117.3320	0.154	2	117.6420	0.664	4	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]P)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]B)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]P)(S[5a]C[5a]){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|H<1>,1|P<4>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]B)(S[5a]C[5a]){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	118.8420	0.000	1	117.6420	0.664	4	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]P)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]P)(S[5a]C[5a]){2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|P<3>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,1|P<3>,3|C<3>}	117.3420	2.045	2	117.3420	4.182	2	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]P)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Ir)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]P)(S[5a]C[5a]){1|Ir<6>,1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)2{1|H<1>,1|P<4>,2|C<3>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Ir)(S[5a]C[5a]){1|P<4>,2|C<3>,2|H<1>}	120.8800	0.000	1	120.8800	0.000	1	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]P)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Pd)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]P)(S[5a]C[5a]){1|Pd<4>,1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)2{1|H<1>,1|P<4>,2|C<3>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Pd)(S[5a]C[5a]){1|P<4>,2|C<3>,2|H<1>}	120.6370	0.000	1	120.6370	0.000	1	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]P)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Ru)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]P)(S[5a]C[5a]){1|Ru<6>,1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)2{1|H<1>,1|P<4>,2|C<3>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Ru)(S[5a]C[5a]){1|P<4>,2|C<3>,2|H<1>}	120.9910	0.000	1	120.9910	0.000	1	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]P)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]B)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]P)(S[5a]C[5a]){1|B<4>,1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2){1|H<1>,1|P<4>,1|S<2>,3|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]B)(S[5a]C[5a]){1|H<1>,1|P<4>,3|C<3>}	119.1340	0.701	2	119.1340	0.492	2	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Pd)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]P)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Pd)(S[5a]C[5a]){1|P<4>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|Pd<4>,1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]P)(S[5a]C[5a]){1|Pd<4>,1|H<1>,3|C<3>}	118.7230	0.000	1	118.7230	0.000	1	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Ru)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]P)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Ru)(S[5a]C[5a]){1|P<4>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|Ru<6>,1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]P)(S[5a]C[5a]){1|Ru<6>,1|H<1>,3|C<3>}	118.3680	0.000	1	118.3680	0.000	1	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]S)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]S)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]S)(S[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]S)(S[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	119.9292	0.831	4	119.9292	0.690	4	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]S)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]S)(S[5a]C[5a]){1|H<1>,1|S<2>,3|C<3>}	S[5a](C[5a]C[5a]2)2{2|C<3>,4|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,1|S<2>,3|C<3>}	119.1910	0.472	2	118.6699	0.887	8	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]S)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]S)(S[5a]C[5a]){1|H<1>,1|S<2>,3|C<3>}	S[5a](C[5a]C[5a]2)2{2|C<3>,4|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	118.4962	1.026	6	118.6699	0.887	8	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Sn)(S[5a]C[5a])	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Sn)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Sn)(S[5a]C[5a]){1|Si<4>,1|H<1>,2|C<3>}	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]2){1|Sn<4>,1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Sn)(S[5a]C[5a]){1|Si<4>,1|H<1>,2|C<3>}	127.8955	0.026	2	127.8955	0.001	2	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[6a]N[5a])(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]N[5a]N)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[6a]N[5a])(S[5a]C[5a]){1|H<1>,1|N<3>,4|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]N[5a]N){1|S<2>,2|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	117.3890	0.000	1	117.3890	0.000	1	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[6a]N[5a])(S[5a]C[5a])	S[5a](C[5a]N[5a]N[6])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[6a]N[5a])(S[5a]C[5a]){1|H<1>,1|N<3>,4|C<3>}	S[5a](C[5a]N[5a]N[6])(C[5a]C[5a]2){1|S<2>,2|C<3>,2|C<4>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	118.1125	0.281	2	118.1125	0.079	2	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]C)(S[5a]C[5a])	S[5a](C[5a]N[5a]C[5])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]C)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]C)(S[5a]C[5a]){1|N<2>,3|C<3>}	S[5a](C[5a]N[5a]C[5])(C[5a]C[5a]2){1|C<2>,2|C<3>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]C)(S[5a]C[5a]){1|N<2>,3|C<3>}	120.7460	0.799	2	120.7460	0.638	2	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]O)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]N[5a]S)	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]O)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]O)(S[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|S<1>}	S[5a](C[5a]C[5a]2)(C[5a]N[5a]S){1|C<3>,1|C<4>,1|O<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]O)(S[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|S<1>}	126.9710	0.505	4	126.9710	0.255	4	120.3232	4.352	513	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,1|N<3>,3|C<3>}	115.6190	0.000	1	115.6190	0.000	1	117.9000	5.118	22	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C)(N[5a]C[5a]){2|C<3>,3|H<1>}	117.2660	0.000	1	117.2660	0.000	1	117.9000	5.118	22	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	118.6545	2.620	6	118.6545	6.867	6	117.9000	5.118	22	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a]){2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	120.7775	0.332	2	120.7775	0.110	2	117.9000	5.118	22	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)2{1|C<3>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	116.7830	0.000	1	115.9910	1.474	3	117.9000	5.118	22	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)2{1|C<3>,1|N<2>,1|N<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	115.5950	1.417	2	115.9910	1.474	3	117.9000	5.118	22	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)2{2|H<1>,2|N<2>,2|N<3>}	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C)(N[5a]C[5a]){1|H<1>,4|C<3>}	116.3860	0.000	1	116.3860	0.000	1	117.9000	5.118	22	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]H)(N[5a]C[5a])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)2{2|H<1>,2|N<2>,2|N<3>}	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,4|C<3>}	119.6945	0.323	2	119.6945	0.104	2	117.9000	5.118	22	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a]){1|Br<1>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2){1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	118.9725	0.565	2	118.9725	0.319	2	117.9000	5.118	22	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a]){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2){1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C)(N[5a]C[5a]){1|H<1>,4|C<3>}	119.4060	0.000	1	119.4060	0.000	1	117.9000	5.118	22	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	115.4447	0.938	3	115.4447	0.879	3	117.9000	5.118	22	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a,6a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|N<2>,1|N<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(N[5a]C[5a]){1|C<2>,2|H<1>,4|C<3>}	116.3070	0.000	1	116.3070	0.000	1	119.8405	24.971	2	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a,6a]N[5a])(C[5a]N[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]N[5a]C)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(N[5a]N[5a])	C[5a](C[5a]N[5a,6a]N[5a])(C[5a]N[5a]C)(S[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]N[5a]C){1|C<4>,1|N<2>,1|N<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(N[5a]N[5a]){1|C<4>,1|N<2>,4|C<3>}	123.3740	0.000	1	123.3740	0.000	1	119.8405	24.971	2	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(N[5a]C[5a,6a])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|N<2>,1|N<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	115.2360	0.000	1	115.2360	0.000	1	115.5590	0.240	4	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(N[5a]C[5a,6a])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a]){1|Br<1>,1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2){1|N<2>,1|N<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	115.6000	0.745	2	115.6000	0.555	2	115.5590	0.240	4	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(N[5a]C[5a,6a])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a]){1|H<1>,4|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	115.8000	0.000	1	115.8000	0.000	1	115.5590	0.240	4	120.2147	4.820	641	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a,5a]C[5a])(C[5a]C[5a,5a]H)(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2)	C[5a](N[5a,5a]C[5a,5a]B[5a])(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])	C[5a](C[5a]N[5a,5a]C[5a])(C[5a]C[5a,5a]H)(S[5a]C[5a,5a]){1|B<4>,1|N<2>,1|S<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2){1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[5a](N[5a,5a]C[5a,5a]B[5a])(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a]){1|H<1>,1|N<3>,1|S<2>,2|F<1>,4|C<3>}	120.1190	0.000	1	120.1190	0.000	1	120.1190	0.000	1	121.9136	10.510	76	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,6a]H)(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(C[5a]C[5a,6a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,6a]H)(S[5a]C[5a,6a]){1|H<1>,5|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2){1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(C[5a]C[5a,6a]H){1|H<1>,2|N<2>,4|C<3>}	118.6830	0.000	1	118.6830	0.000	1	118.6830	0.000	1	121.9136	10.510	76	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5,5a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5,5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])	C[5a](C[5a]C[5a,6a]C[5,5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,5|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a]){2|H<1>,7|C<3>}	123.9580	0.000	1	123.9580	0.000	1	123.9580	0.000	1	121.9136	10.510	76	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2)	C[5a](C[5,5a]C[5,5a]N[5])(C[5a]C[5a]S[5a])(C[5a]N[5a]O)	C[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|N<3>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2){2|C<3>,2|H<1>}	C[5a](C[5,5a]C[5,5a]N[5])(C[5a]C[5a]S[5a])(C[5a]N[5a]O){1|H<1>,6|C<3>}	120.1770	0.000	1	120.1770	0.000	1	120.1770	0.000	1	121.9136	10.510	76	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5,5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]S[5a])(N[5a]C[5a]C)	C[5a](C[5a]C[5,5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|F<1>,1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|F<1>,1|H<1>,1|N<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>}	125.9000	0.000	1	125.9555	0.055	6	125.3824	2.848	8	121.9136	10.510	76	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5,5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]S[5a])(N[5a]C[5a]C)	C[5a](C[5a]C[5,5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	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>}	125.9666	0.260	5	125.9555	0.055	6	125.3824	2.848	8	121.9136	10.510	76	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5,5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]S[5a])(N[5a]C[5a]H)	C[5a](C[5a]C[5,5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){3|C<3>,3|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	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>}	121.2360	0.000	1	121.2360	0.000	1	125.3824	2.848	8	121.9136	10.510	76	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5,5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]S[5a])(N[5a]C[5a]C)	C[5a](C[5a]C[5,5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,5|C<3>}	S[5a](C[5a]C[5a]2)2{1|N<3>,1|S<2>,2|C<3>,2|H<1>}	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>}	126.0900	0.000	1	126.0900	0.000	1	125.3824	2.848	8	121.9136	10.510	76	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a,5a]C[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]S[5a])(C[5a]C[5a]O)	C[5a](C[5a]C[5a,5a]C[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|O<1>,2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]S[5a])(C[5a]C[5a]O){1|H<1>,6|C<3>}	123.6020	1.474	2	123.6020	2.172	2	123.6020	2.172	2	121.9136	10.510	76	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6]C[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]S[5a])(C[5a]C[5a]Br)	C[5a](C[5a]C[5a,6]C[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Br<1>,1|N<3>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]S[5a])(C[5a]C[5a]Br){1|Br<1>,1|B<4>,2|H<1>,3|C<3>}	122.5680	0.000	1	122.5680	0.000	1	122.5680	0.000	1	121.9136	10.510	76	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])(C[5a]C[5a]S[5a])	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|O<2>,2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])(C[5a]C[5a]S[5a]){1|C<4>,1|H<1>,1|S<2>,5|C<3>}	118.7460	0.000	1	118.7460	0.000	1	120.3857	1.047	6	121.9136	10.510	76	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])2	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|S<2>,2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])2{1|C<4>,1|H<1>,1|S<2>,5|C<3>}	120.2860	0.000	1	120.2860	0.000	1	120.3857	1.047	6	121.9136	10.510	76	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])2	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|Br<1>,1|H<1>,1|S<2>,3|C<3>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])2{1|C<4>,1|H<1>,1|S<2>,5|C<3>}	120.2490	0.000	1	120.2490	0.000	1	120.3857	1.047	6	121.9136	10.510	76	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(C[5a]N[5a]N)	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(C[5a]N[5a]N){1|C<4>,2|H<1>,4|C<3>}	121.7470	0.000	1	121.7470	0.000	1	120.3857	1.047	6	121.9136	10.510	76	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]N[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(C[5a]S[5a]C)	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]N[5a]H){3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(C[5a]S[5a]C){1|H<1>,1|N<2>,4|C<3>}	120.6430	0.728	2	120.6430	0.530	2	120.3857	1.047	6	121.9136	10.510	76	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]N[5a,6])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]S[5a])	C[5a](C[5a]C[5a,6a]N[5a,6])(C[5a]C[5a]H)(S[5a]C[5a]){1|Si<4>,1|B<4>,1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]2){1|C<3>,1|N<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]S[5a]){1|N<2>,1|N<3>,2|F<1>,2|H<1>,4|C<3>}	120.1055	0.677	2	120.1055	0.458	2	120.1055	0.458	2	121.9136	10.510	76	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])2(C[5a]C[5a]H)	C[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(S[5a]C[5a]){1|Br<1>,1|S<2>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]S[5a])2(C[5a]C[5a]H){1|Br<1>,1|C<4>,1|S<2>,3|C<3>}	117.8730	0.000	1	117.8730	0.000	1	120.2119	2.537	15	121.9136	10.510	76	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(S[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[6a]N[5a])(C[5a]C[5a]H){2|H<1>,5|C<3>}	123.1460	0.000	1	123.1460	0.000	1	120.2119	2.537	15	121.9136	10.510	76	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<2>,1|S<2>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)2{2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(C[5a]S[5a]C){2|C<3>,2|H<1>}	119.0360	0.552	4	119.0360	0.305	4	120.2119	2.537	15	121.9136	10.510	76	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(C[5a]S[5a]H)	C[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(S[5a]C[5a]){1|S<2>,2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]2)2{1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(C[5a]S[5a]H){2|C<3>,2|H<1>}	121.3764	0.714	5	121.3764	0.510	5	120.2119	2.537	15	121.9136	10.510	76	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(C[5a]S[5a]H)	C[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(S[5a]C[5a]){1|Si<4>,1|C<3>,1|S<2>,3|H<1>}	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]2){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(C[5a]S[5a]H){1|Si<4>,1|H<1>,2|C<3>}	121.4810	0.000	1	121.4810	0.000	1	120.2119	2.537	15	121.9136	10.510	76	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)2(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]2)2(S[5a]C[5a]){1|Pt<4>,1|C<4>,1|H<1>,1|S<2>,4|C<3>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]2){1|Pt<4>,1|N<3>,4|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,3|C<3>}	119.2177	0.894	3	119.2177	0.798	3	120.2119	2.537	15	121.9136	10.510	76	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(S[5a]C[5a]){3|C<3>,3|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	117.0530	1.315	4	117.0530	1.729	4	121.3814	12.364	21	121.9136	10.510	76	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|H<1>,4|C<3>}	122.1610	0.255	2	122.1610	0.065	2	121.3814	12.364	21	121.9136	10.510	76	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	125.9260	0.000	1	127.1543	1.141	3	121.3814	12.364	21	121.9136	10.510	76	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	127.7685	0.138	2	127.1543	1.141	3	121.3814	12.364	21	121.9136	10.510	76	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S[5a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){3|C<3>,3|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S[5a])(N[5a]C[5a]H){1|H<1>,6|C<3>}	123.2700	0.000	1	123.2700	0.000	1	121.3814	12.364	21	121.9136	10.510	76	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Br)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Br)(N[5a]C[5a]C){1|Br<1>,1|H<1>,3|C<3>}	121.1510	0.660	2	121.1510	0.436	2	121.3814	12.364	21	121.9136	10.510	76	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]2)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){3|C<3>,3|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]2){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	124.2000	0.000	1	124.2000	0.000	1	121.3814	12.364	21	121.9136	10.510	76	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	118.8515	1.007	4	118.8515	1.013	4	121.3814	12.364	21	121.9136	10.510	76	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]N[5a]C)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]N[5a]C){1|H<1>,3|C<3>}	119.6140	0.000	1	119.6140	0.000	1	121.3814	12.364	21	121.9136	10.510	76	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]C)(N[5a]N[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<2>,2|N<2>,3|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]C)(N[5a]N[5a]H){1|H<1>,2|C<3>}	121.1740	0.000	1	121.1740	0.000	1	121.3814	12.364	21	121.9136	10.510	76	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)2{2|C<3>,2|H<1>,2|N<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	124.5235	0.015	2	124.5235	0.000	2	121.3814	12.364	21	121.9136	10.510	76	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,4|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C[6])(C[5a]C[5a]H){2|H<1>,5|C<3>}	124.9825	0.166	2	124.9825	0.028	2	124.3446	5.684	9	121.9136	10.510	76	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,4|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C[6a])(C[5a]C[5a]H){2|H<1>,5|C<3>}	125.1790	0.443	6	125.1790	0.196	6	124.3446	5.684	9	121.9136	10.510	76	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<2>,2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(N[5a]C[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,4|C<3>}	118.0620	0.000	1	118.0620	0.000	1	124.3446	5.684	9	121.9136	10.510	76	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	N[5a,6]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]S[5a])(C[5a]C[5a]H)	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|B<4>,2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]S[5a])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	120.8743	6.354	3	120.8743	40.370	3	121.9816	26.538	8	121.9136	10.510	76	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	N[5a,6]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]S[5a])(C[5a]C[5a]H)	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Br<1>,1|B<4>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2){1|C<3>,1|N<3>,2|H<1>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]S[5a])(C[5a]C[5a]H){1|H<1>,1|N<2>,1|N<3>,2|F<1>,3|C<3>}	122.0285	5.523	4	122.0285	30.505	4	121.9816	26.538	8	121.9136	10.510	76	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	0:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	N[5a,6]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]O)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6,6])(C[5a]C[5a]S[5a])(C[5a]C[5a]H)	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]O)(S[5a]C[5a]){1|B<4>,2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5a](N[5a,6]C[5a,6]B[6,6])(C[5a]C[5a]S[5a])(C[5a]C[5a]H){1|F<1>,1|N<2>,1|N<3>,2|O<2>,3|C<3>}	125.1160	0.000	1	125.1160	0.000	1	121.9816	26.538	8	121.9136	10.510	76	120.4314	6.095	864	127.2914	62.460	1709
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:2:2:	3:3:	3:2:2:	C[5,5a]-3:S[5]-2:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:S[5]-2:S[5a]-2:	C[5,5a](C[5,5a]S[5a]S[5])(S[5]C[5,5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]S[5])(C[5a]S[5a]O)	C[5,5a](C[5,5a]S[5a]S[5])(S[5]C[5,5])(S[5a]C[5a])	C[5,5a](C[5,5a]S[5a]S[5])(S[5]C[5,5])(S[5a]C[5a]){1|O<1>,2|C<3>}	S[5a](C[5,5a]C[5,5a]S[5])(C[5a]S[5a]O){1|C<4>,1|S<2>}	C[5,5a](C[5,5a]S[5a]S[5])(S[5]C[5,5])(S[5a]C[5a]){1|O<1>,2|C<3>}	118.4250	0.519	2	118.4250	0.269	2	118.4250	0.269	2	118.1525	0.509	113	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:2:2:	3:3:	3:2:2:	C[5,5a]-3:S[5a]-2:S[5]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:S[5a]-2:S[5]-2:	C[5,5a](C[5,5a]S[5a]S[5])(S[5a]C[5a])(S[5]C[5])	S[5a](C[5,5a]C[5,5a]S[5])(C[5a]C[6a]S[5a])	C[5,5a](C[5,5a]S[5a]S[5])(S[5a]C[5a])(S[5]C[5])	C[5,5a](C[5,5a]S[5a]S[5])(S[5a]C[5a])(S[5]C[5]){2|C<3>}	S[5a](C[5,5a]C[5,5a]S[5])(C[5a]C[6a]S[5a]){1|S<2>,3|C<3>}	C[5,5a](C[5,5a]S[5a]S[5])(S[5a]C[5a])(S[5]C[5]){2|C<3>}	118.0270	0.414	4	118.0270	0.171	4	118.1395	0.476	109	118.1525	0.509	113	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:2:2:	3:3:	3:2:2:	C[5,5a]-3:S[5a]-2:S[5]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:S[5a]-2:S[5]-2:	C[5,5a](C[5,5a]S[5a]S[5])(S[5a]C[5a])(S[5]C[5])	S[5a](C[5,5a]C[5,5a]S[5])(C[5a]S[5a]C)	C[5,5a](C[5,5a]S[5a]S[5])(S[5a]C[5a])(S[5]C[5])	C[5,5a](C[5,5a]S[5a]S[5])(S[5a]C[5a])(S[5]C[5]){2|C<3>}	S[5a](C[5,5a]C[5,5a]S[5])(C[5a]S[5a]C){1|C<3>,1|S<2>}	C[5,5a](C[5,5a]S[5a]S[5])(S[5a]C[5a])(S[5]C[5]){2|C<3>}	118.7470	0.000	1	118.7470	0.000	1	118.1395	0.476	109	118.1525	0.509	113	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:2:2:	3:3:	3:2:2:	C[5,5a]-3:S[5a]-2:S[5]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:S[5a]-2:S[5]-2:	C[5,5a](C[5,5a]S[5a]S[5])(S[5a]C[5a])(S[5]C[5])	S[5a](C[5,5a]C[5,5a]S[5])(C[5a]S[5a]C[5])	C[5,5a](C[5,5a]S[5a]S[5])(S[5a]C[5a])(S[5]C[5])	C[5,5a](C[5,5a]S[5a]S[5])(S[5a]C[5a])(S[5]C[5]){2|C<3>}	S[5a](C[5,5a]C[5,5a]S[5])(C[5a]S[5a]C[5]){1|C<3>,1|S<2>,2|C<4>}	C[5,5a](C[5,5a]S[5a]S[5])(S[5a]C[5a])(S[5]C[5]){2|C<3>}	118.2700	0.562	4	118.1079	0.393	65	118.1395	0.476	109	118.1525	0.509	113	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:2:2:	3:3:	3:2:2:	C[5,5a]-3:S[5a]-2:S[5]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:S[5a]-2:S[5]-2:	C[5,5a](C[5,5a]S[5a]S[5])(S[5a]C[5a])(S[5]C[5])	S[5a](C[5,5a]C[5,5a]S[5])(C[5a]S[5a]C[5])	C[5,5a](C[5,5a]S[5a]S[5])(S[5a]C[5a])(S[5]C[5])	C[5,5a](C[5,5a]S[5a]S[5])(S[5a]C[5a])(S[5]C[5]){2|C<3>}	S[5a](C[5,5a]C[5,5a]S[5])(C[5a]S[5a]C[5]){1|C<3>,3|S<2>}	C[5,5a](C[5,5a]S[5a]S[5])(S[5a]C[5a])(S[5]C[5]){2|C<3>}	118.0973	0.634	61	118.1079	0.393	65	118.1395	0.476	109	118.1525	0.509	113	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:2:2:	3:3:	3:2:2:	C[5,5a]-3:S[5a]-2:S[5]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:S[5a]-2:S[5]-2:	C[5,5a](C[5,5a]S[5a]S[5])(S[5a]C[5a])(S[5]C[5])	S[5a](C[5,5a]C[5,5a]S[5])(C[5a]S[5a]C[6])	C[5,5a](C[5,5a]S[5a]S[5])(S[5a]C[5a])(S[5]C[5])	C[5,5a](C[5,5a]S[5a]S[5])(S[5a]C[5a])(S[5]C[5]){2|C<3>}	S[5a](C[5,5a]C[5,5a]S[5])(C[5a]S[5a]C[6]){1|C<3>,3|S<2>}	C[5,5a](C[5,5a]S[5a]S[5])(S[5a]C[5a])(S[5]C[5]){2|C<3>}	118.1900	0.897	24	118.1900	0.804	24	118.1395	0.476	109	118.1525	0.509	113	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:2:2:	3:3:	3:2:2:	C[5,5a]-3:S[5a]-2:S[5]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:S[5a]-2:S[5]-2:	C[5,5a](C[5,5a]S[5a]S[5])(S[5a]C[5a])(S[5]C[5])	S[5a](C[5,5a]C[5,5a]S[5])(C[5a]S[5a]O)	C[5,5a](C[5,5a]S[5a]S[5])(S[5a]C[5a])(S[5]C[5])	C[5,5a](C[5,5a]S[5a]S[5])(S[5a]C[5a])(S[5]C[5]){1|C<3>,1|O<1>}	S[5a](C[5,5a]C[5,5a]S[5])(C[5a]S[5a]O){1|C<3>,1|S<2>}	C[5,5a](C[5,5a]S[5a]S[5])(S[5a]C[5a])(S[5]C[5]){1|C<3>,1|O<1>}	118.2879	0.641	10	118.2674	0.404	14	118.1395	0.476	109	118.1525	0.509	113	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:2:2:	3:3:	3:2:2:	C[5,5a]-3:S[5a]-2:S[5]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:S[5a]-2:S[5]-2:	C[5,5a](C[5,5a]S[5a]S[5])(S[5a]C[5a])(S[5]C[5])	S[5a](C[5,5a]C[5,5a]S[5])(C[5a]S[5a]O)	C[5,5a](C[5,5a]S[5a]S[5])(S[5a]C[5a])(S[5]C[5])	C[5,5a](C[5,5a]S[5a]S[5])(S[5a]C[5a])(S[5]C[5]){1|O<1>,1|S<1>}	S[5a](C[5,5a]C[5,5a]S[5])(C[5a]S[5a]O){1|C<3>,1|S<2>}	C[5,5a](C[5,5a]S[5a]S[5])(S[5a]C[5a])(S[5]C[5]){1|O<1>,1|S<1>}	118.4605	1.128	2	118.2674	0.404	14	118.1395	0.476	109	118.1525	0.509	113	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:2:2:	3:3:	3:2:2:	C[5,5a]-3:S[5a]-2:S[5]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:S[5a]-2:S[5]-2:	C[5,5a](C[5,5a]S[5a]S[5])(S[5a]C[5a])(S[5]C[5])	S[5a](C[5,5a]C[5,5a]S[5])(C[5a]S[5a]O)	C[5,5a](C[5,5a]S[5a]S[5])(S[5a]C[5a])(S[5]C[5])	C[5,5a](C[5,5a]S[5a]S[5])(S[5a]C[5a])(S[5]C[5]){1|O<1>,2|H<1>}	S[5a](C[5,5a]C[5,5a]S[5])(C[5a]S[5a]O){1|C<4>,1|S<2>}	C[5,5a](C[5,5a]S[5a]S[5])(S[5a]C[5a])(S[5]C[5]){1|O<1>,2|H<1>}	117.9720	0.165	2	118.2674	0.404	14	118.1395	0.476	109	118.1525	0.509	113	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:2:2:	3:3:	3:2:2:	C[5,5a]-3:S[5a]-2:S[5]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:S[5a]-2:S[5]-2:	C[5,5a](C[5,5a]S[5a]S[5])(S[5a]C[5a])(S[5]C[5])	S[5a](C[5,5a]C[5,5a]S[5])(C[5a]S[5a]S)	C[5,5a](C[5,5a]S[5a]S[5])(S[5a]C[5a])(S[5]C[5])	C[5,5a](C[5,5a]S[5a]S[5])(S[5a]C[5a])(S[5]C[5]){2|S<1>}	S[5a](C[5,5a]C[5,5a]S[5])(C[5a]S[5a]S){1|C<3>,1|S<2>}	C[5,5a](C[5,5a]S[5a]S[5])(S[5a]C[5a])(S[5]C[5]){2|S<1>}	117.0310	0.000	1	117.0310	0.000	1	118.1395	0.476	109	118.1525	0.509	113	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:2:2:	3:3:	3:2:2:	C[5,5a]-3:S[5a]-2:Se[5]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:S[5a]-2:Se[5]-2:	C[5,5a](C[5,5a]S[5a]Se[5])(S[5a]C[5a])(Se[5]C[5])	S[5a](C[5,5a]C[5,5a]Se[5])(C[5a]S[5a]O)	C[5,5a](C[5,5a]S[5a]Se[5])(S[5a]C[5a])(Se[5]C[5])	C[5,5a](C[5,5a]S[5a]Se[5])(S[5a]C[5a])(Se[5]C[5]){1|C<3>,1|O<1>}	S[5a](C[5,5a]C[5,5a]Se[5])(C[5a]S[5a]O){1|Se<2>,1|C<3>}	C[5,5a](C[5,5a]S[5a]Se[5])(S[5a]C[5a])(Se[5]C[5]){1|C<3>,1|O<1>}	118.5890	2.172	2	118.5890	4.719	2	118.5890	4.719	2	118.1525	0.509	113	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:2:2:	3:3:	3:2:3:	C[5,5a]-3:S[5a]-2:S[5]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:S[5a]-2:N[5]-3:	C[5,5a](C[5,5a]S[5a]N[5])(S[5a]C[5a])(S[5]C[5])	S[5a](C[5,5a]C[5,5a]S[5])(C[5a]S[5a]O)	C[5,5a](C[5,5a]S[5a]S[5])(S[5a]C[5a])(N[5]C[5]C)	C[5,5a](C[5,5a]S[5a]N[5])(S[5a]C[5a])(S[5]C[5]){1|C<4>,1|O<1>,1|S<1>}	S[5a](C[5,5a]C[5,5a]S[5])(C[5a]S[5a]O){1|C<3>,1|N<3>}	C[5,5a](C[5,5a]S[5a]S[5])(S[5a]C[5a])(N[5]C[5]C){1|O<1>,1|S<1>}	118.6923	0.591	3	118.6923	0.349	3	118.6923	0.349	3	118.6923	0.349	3	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:2:2:	3:3:	3:3:2:	C[5,5a]-3:S[5a]-2:S[5]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:S[5]-2:	C[5,5a](C[5,5a]C[5a]S[5])(S[5a]C[5a])(S[5]C[5])	S[5a](C[5,5a]C[5,5a]S[5])(C[5a]C[5a]C)	C[5,5a](C[5,5a]S[5a]S[5])(C[5a]C[5a]C)(S[5]C[5])	C[5,5a](C[5,5a]C[5a]S[5])(S[5a]C[5a])(S[5]C[5]){1|S<1>,2|C<4>}	S[5a](C[5,5a]C[5,5a]S[5])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|S<2>}	C[5,5a](C[5,5a]S[5a]S[5])(C[5a]C[5a]C)(S[5]C[5]){1|C<4>,1|S<1>}	111.7200	0.697	2	111.7200	0.486	2	111.9296	0.263	5	114.2979	6.939	14	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:2:2:	3:3:	3:3:2:	C[5,5a]-3:S[5a]-2:S[5]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:S[5]-2:	C[5,5a](C[5,5a]C[5a]S[5])(S[5a]C[5a])(S[5]C[5])	S[5a](C[5,5a]C[5,5a]S[5])(C[5a]C[5a]C[6a])	C[5,5a](C[5,5a]S[5a]S[5])(C[5a]C[5a]C[6a])(S[5]C[5])	C[5,5a](C[5,5a]C[5a]S[5])(S[5a]C[5a])(S[5]C[5]){1|S<1>,2|C<3>}	S[5a](C[5,5a]C[5,5a]S[5])(C[5a]C[5a]C[6a]){1|S<2>,4|C<3>}	C[5,5a](C[5,5a]S[5a]S[5])(C[5a]C[5a]C[6a])(S[5]C[5]){1|S<1>,3|C<3>}	111.8055	0.040	2	111.8055	0.002	2	111.9296	0.263	5	114.2979	6.939	14	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:2:2:	3:3:	3:3:2:	C[5,5a]-3:S[5a]-2:S[5]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:S[5]-2:	C[5,5a](C[5,5a]C[5a]S[5])(S[5a]C[5a])(S[5]C[5])	S[5a](C[5,5a]C[5,5a]S[5])(C[5a]C[5a]H)	C[5,5a](C[5,5a]S[5a]S[5])(C[5a]C[5a]C[6a])(S[5]C[5])	C[5,5a](C[5,5a]C[5a]S[5])(S[5a]C[5a])(S[5]C[5]){1|C<3>,1|H<1>,1|S<1>}	S[5a](C[5,5a]C[5,5a]S[5])(C[5a]C[5a]H){1|S<2>,2|C<3>}	C[5,5a](C[5,5a]S[5a]S[5])(C[5a]C[5a]C[6a])(S[5]C[5]){1|H<1>,1|S<1>,2|C<3>}	112.5970	0.000	1	112.5970	0.000	1	111.9296	0.263	5	114.2979	6.939	14	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:2:2:	3:3:	3:3:2:	C[5,5a]-3:S[5a]-2:S[5]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:N[5]-3:S[5a]-2:	C[5,5a](C[5,5a]S[5a]N[5])(S[5a]C[5a])(S[5]C[5])	S[5a](C[5,5a]C[5,5a]S[5])(C[5a]S[5a]O)	C[5,5a](C[5,5a]S[5a]S[5])(N[5]C[6a]C[5])(S[5a]C[5a])	C[5,5a](C[5,5a]S[5a]N[5])(S[5a]C[5a])(S[5]C[5]){1|C<3>,1|O<1>,1|S<1>}	S[5a](C[5,5a]C[5,5a]S[5])(C[5a]S[5a]O){1|C<3>,1|N<3>}	C[5,5a](C[5,5a]S[5a]S[5])(N[5]C[6a]C[5])(S[5a]C[5a]){1|O<1>,1|S<1>,2|C<3>}	118.6263	1.057	3	118.6263	1.117	3	118.6263	1.117	3	114.2979	6.939	14	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:2:2:	3:3:	3:3:2:	C[5,5a]-3:S[5a]-2:S[5]-2:	C[5a,5a]-3:C[5,5a]-3:	C[5a,5a]-3:C[5,5a]-3:C[5]-2:	C[5,5a](C[5,5a]C[5a,5a]C[5])(S[5a]C[5a,5a])(S[5]C[5])	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5,5a]C[5,5a]S[5])	C[5,5a](C[5a,5a]C[5a,5a]2)(C[5,5a]S[5a]S[5])(C[5]C[5])	C[5,5a](C[5,5a]C[5a,5a]C[5])(S[5a]C[5a,5a])(S[5]C[5]){1|C<3>,1|C<4>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5,5a]C[5,5a]S[5]){1|C<2>,3|C<3>}	C[5,5a](C[5a,5a]C[5a,5a]2)(C[5,5a]S[5a]S[5])(C[5]C[5]){1|C<4>,1|S<2>,2|C<3>}	114.4703	0.530	4	114.4703	0.281	4	114.4703	0.281	4	114.2979	6.939	14	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:2:2:	3:3:	3:3:2:	C[5,5a]-3:S[5a]-2:S[5]-2:	C[5a,6a]-3:C[5,5a]-3:	C[5a,6a]-3:C[5,5a]-3:S[5]-2:	C[5,5a](C[5,5a]C[5a,6a]S[5])(S[5a]C[5a,6a])(S[5]C[5])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]S[5])	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]S[5])(S[5]C[5])	C[5,5a](C[5,5a]C[5a,6a]S[5])(S[5a]C[5a,6a])(S[5]C[5]){1|S<1>,2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]S[5]){1|H<1>,1|S<2>,3|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]S[5])(S[5]C[5]){1|H<1>,1|S<1>,2|C<3>}	113.5170	0.000	1	113.3815	0.037	2	113.3815	0.037	2	114.2979	6.939	14	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:2:2:	3:3:	3:3:2:	C[5,5a]-3:S[5a]-2:S[5]-2:	C[5a,6a]-3:C[5,5a]-3:	C[5a,6a]-3:C[5,5a]-3:S[5]-2:	C[5,5a](C[5,5a]C[5a,6a]S[5])(S[5a]C[5a,6a])(S[5]C[5])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]S[5])	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]S[5])(S[5]C[5])	C[5,5a](C[5,5a]C[5a,6a]S[5])(S[5a]C[5a,6a])(S[5]C[5]){2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]S[5]){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]S[5])(S[5]C[5]){2|C<3>,3|H<1>}	113.2460	0.000	1	113.3815	0.037	2	113.3815	0.037	2	114.2979	6.939	14	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:2:2:	3:3:	3:3:3:	C[5,5a]-3:S[5a]-2:S[5]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a](C[5,5a]C[5a]C[5])(S[5a]C[5a])(S[5]S[5])	S[5a](C[5,5a]C[5,5a]S[5])(C[5a]C[5a]H)	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]){1|C<4>,1|H<1>,1|S<2>}	S[5a](C[5,5a]C[5,5a]S[5])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|S<2>}	C[5,5a](C[5,5a]S[5a]S[5])(C[5a]C[5a]C)(C[5]S[5]S){1|H<1>}	112.4090	0.000	1	112.4090	0.000	1	112.4090	0.000	1	113.9926	0.840	5	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:2:2:	3:3:	3:3:3:	C[5,5a]-3:S[5a]-2:Se[5]-2:	C[5,5a]-3:C[5,5a]-3:	C[5,5a]-3:C[5,5a]-3:C[5,6a]-3:	C[5,5a](C[5,5a]C[5,5a]C[5,6a])(S[5a]C[5,5a])(Se[5]C[5,6a])	S[5a](C[5,5a]C[5,5a]Se[5])2	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[5,5a](C[5,5a]C[5,5a]C[5,6a])(S[5a]C[5,5a])(Se[5]C[5,6a]){1|Se<2>,3|C<3>}	S[5a](C[5,5a]C[5,5a]Se[5])2{4|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>}	114.5780	0.253	2	114.5780	0.064	2	114.5780	0.064	2	113.9926	0.840	5	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:2:2:	3:3:	3:3:3:	C[5,5a]-3:S[5a]-2:Se[5]-2:	C[5,5a]-3:C[5,5a]-3:	C[5,5a]-3:C[5,5a]-3:C[5]-3:	C[5,5a](C[5,5a]C[5,5a]C[5])(S[5a]C[5,5a])(Se[5]C[5])	S[5a](C[5,5a]C[5,5a]Se[5])2	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]){1|Se<2>,1|Si<4>,1|C<3>,1|H<1>}	S[5a](C[5,5a]C[5,5a]Se[5])2{4|C<3>}	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>}	114.1990	0.127	2	114.1990	0.016	2	114.1990	0.016	2	113.9926	0.840	5	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:2:2:	3:3:	3:4:2:	C[5,5a]-3:S[5a]-2:S[5]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5]-4:S[5a]-2:	C[5,5a](C[5,5a]S[5a]C[5])(S[5a]C[5a])(S[5]C[5])	S[5a](C[5,5a]C[5,5a]S[5])(C[5a]S[5a]O)	C[5,5a](C[5,5a]S[5a]S[5])(C[5]C[5]HH)(S[5a]C[5a])	C[5,5a](C[5,5a]S[5a]C[5])(S[5a]C[5a])(S[5]C[5]){1|O<1>,4|H<1>}	S[5a](C[5,5a]C[5,5a]S[5])(C[5a]S[5a]O){2|C<4>}	C[5,5a](C[5,5a]S[5a]S[5])(C[5]C[5]HH)(S[5a]C[5a]){1|O<1>,2|H<1>}	118.8430	0.000	1	118.8430	0.000	1	118.8430	0.000	1	118.8430	0.000	1	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:2:2:	3:4:	3:2:2:	C[5,5a]-3:S[5a]-2:S[5]-2:	C[5,5a]-3:B[5a]-4:	C[5,5a]-3:S[5a]-2:S[5]-2:	C[5,5a](C[5,5a]S[5a]S[5])(S[5a]B[5a])(S[5]C[5])	S[5a](C[5,5a]C[5,5a]S[5])(B[5a]B[5a]S[5a]N)	C[5,5a](C[5,5a]S[5a]S[5])(S[5a]B[5a])(S[5]C[5])	C[5,5a](C[5,5a]S[5a]S[5])(S[5a]B[5a])(S[5]C[5]){1|B<4>,1|N<3>,1|S<1>}	S[5a](C[5,5a]C[5,5a]S[5])(B[5a]B[5a]S[5a]N){1|C<3>,1|N<4>,3|S<2>}	C[5,5a](C[5,5a]S[5a]S[5])(S[5a]B[5a])(S[5]C[5]){1|B<4>,1|N<3>,1|S<1>}	119.7990	0.153	2	119.8390	0.314	4	119.8390	0.314	4	119.8390	0.314	4	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:2:2:	3:4:	3:2:2:	C[5,5a]-3:S[5a]-2:S[5]-2:	C[5,5a]-3:B[5a]-4:	C[5,5a]-3:S[5a]-2:S[5]-2:	C[5,5a](C[5,5a]S[5a]S[5])(S[5a]B[5a])(S[5]C[5])	S[5a](C[5,5a]C[5,5a]S[5])(B[5a]B[5a]S[5a]N)	C[5,5a](C[5,5a]S[5a]S[5])(S[5a]B[5a])(S[5]C[5])	C[5,5a](C[5,5a]S[5a]S[5])(S[5a]B[5a])(S[5]C[5]){1|B<4>,1|N<4>,1|S<1>}	S[5a](C[5,5a]C[5,5a]S[5])(B[5a]B[5a]S[5a]N){1|C<3>,1|N<3>,3|S<2>}	C[5,5a](C[5,5a]S[5a]S[5])(S[5a]B[5a])(S[5]C[5]){1|B<4>,1|N<4>,1|S<1>}	119.8790	0.955	2	119.8390	0.314	4	119.8390	0.314	4	119.8390	0.314	4	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:2:3:	3:3:	3:2:2:	C[5,5a]-3:S[5a]-2:N[5]-3:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:S[5a]-2:S[5]-2:	C[5,5a](C[5,5a]S[5a]S[5])(S[5a]C[5a])(N[5]C[5]C)	S[5a](C[5,5a]C[5,5a]N[5])(C[5a]S[5a]O)	C[5,5a](C[5,5a]S[5a]N[5])(S[5a]C[5a])(S[5]C[5])	C[5,5a](C[5,5a]S[5a]S[5])(S[5a]C[5a])(N[5]C[5]C){1|O<1>,1|S<1>}	S[5a](C[5,5a]C[5,5a]N[5])(C[5a]S[5a]O){1|C<3>,1|C<4>,1|S<2>}	C[5,5a](C[5,5a]S[5a]N[5])(S[5a]C[5a])(S[5]C[5]){1|C<4>,1|O<1>,1|S<1>}	118.5390	0.633	3	118.5390	0.401	3	118.5390	0.401	3	118.5390	0.401	3	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:2:3:	3:3:	3:3:2:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5,5a]-3:C[5,5a]-3:	C[5,5a]-3:C[5,5a]-3:Se[5]-2:	C[5,5a](C[5,5a]C[5,5a]Se[5])(S[5a]C[5,5a])(C[5]C[5]H)	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5,5a]C[5,5a]C[5])	C[5,5a](C[5,5a]C[5,5a]Se[5])(C[5,5a]S[5a]C[5])(Se[5]C[5])	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>}	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5,5a]C[5,5a]C[5]){2|Se<2>,1|H<1>,3|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>}	111.0535	0.093	2	111.0535	0.009	2	111.0535	0.009	2	111.3530	0.273	3	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:2:3:	3:3:	3:3:2:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5a,6a]-3:C[5,5a]-3:	C[5a,6a]-3:C[5,5a]-3:O[5]-2:	C[5,5a](C[5,5a]C[5a,6a]O[5])(S[5a]C[5a,6a])(C[5]C[5,5]O)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]C[5])(O[5]C[5,5])	C[5,5a](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>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5]){1|C<4>,1|H<1>,1|O<1>,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>}	111.9520	0.000	1	111.9520	0.000	1	111.9520	0.000	1	111.3530	0.273	3	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:2:3:	3:3:	3:3:3:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a](C[5,5a]C[5a]C[5])(S[5a]C[5a])(C[5]C[5]2)	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)	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){2|C<3>,4|H<1>}	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]H){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]H){1|C<3>,2|H<1>}	111.5763	0.606	26	111.5763	0.368	26	111.6753	0.441	30	111.6615	0.644	43	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:2:3:	3:3:	3:3:3:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a](C[5,5a]C[5a]C[5])(S[5a]C[5a])(C[5]C[5]C)	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]C[5])	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){1|C<4>,1|H<1>,2|C<3>}	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]C[5]){1|Fe<10>,1|H<1>,2|C<4>,3|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>}	111.9920	0.000	1	111.9920	0.000	1	111.6753	0.441	30	111.6615	0.644	43	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:2:3:	3:3:	3:3:3:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a](C[5,5a]C[5a]C[5])(S[5a]C[5a])(C[5]C[5]C)	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]C[6a])	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){1|H<1>,3|C<3>}	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]C[6a]){1|H<1>,5|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>}	111.4810	0.000	1	111.4810	0.000	1	111.6753	0.441	30	111.6615	0.644	43	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:2:3:	3:3:	3:3:3:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a](C[5,5a]C[5a]C[5])(S[5a]C[5a])(C[5]C[5]O)	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]2)	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){1|C<3>,1|H<1>,1|O<1>,2|F<1>}	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]2){1|C<4>,1|H<1>,1|O<1>,1|S<2>,2|C<3>}	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>}	113.2170	0.000	1	113.2170	0.000	1	111.6753	0.441	30	111.6615	0.644	43	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:2:3:	3:3:	3:3:3:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a](C[5,5a]C[5a]C[5])(S[5a]C[5a])(C[5]N[5]O)	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]2)	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){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]2){1|H<1>,1|N<3>,1|O<1>,1|S<2>,2|C<3>}	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>}	112.5860	0.000	1	112.5860	0.000	1	111.6753	0.441	30	111.6615	0.644	43	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:2:3:	3:3:	3:3:3:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:N[5]-3:	C[5,5a](C[5,5a]C[5a]N[5])(S[5a]C[5a])(C[5]C[5]2)	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]2)	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(N[5]C[5]C)	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>}	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]2){1|H<1>,1|N<3>,1|S<2>,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>}	110.8810	0.000	1	110.8810	0.000	1	110.9201	0.406	8	111.6615	0.644	43	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:2:3:	3:3:	3:3:3:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:N[5]-3:	C[5,5a](C[5,5a]C[5a]N[5])(S[5a]C[5a])(C[5]C[5]2)	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]C[6a])	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(N[5]C[5]H)	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>}	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]C[6a]){1|H<1>,1|N<3>,4|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>}	110.2990	0.000	1	110.2990	0.000	1	110.9201	0.406	8	111.6615	0.644	43	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:2:3:	3:3:	3:3:3:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:N[5]-3:	C[5,5a](C[5,5a]C[5a]N[5])(S[5a]C[5a])(C[5]C[5]2)	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(N[5]C[5]C)	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>}	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>}	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>}	110.4655	0.046	2	110.4655	0.002	2	110.9201	0.406	8	111.6615	0.644	43	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:2:3:	3:3:	3:3:3:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:N[5]-3:	C[5,5a](C[5,5a]C[5a]N[5])(S[5a]C[5a])(C[5]C[5]2)	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(N[5]C[5]H)	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>}	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>}	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>}	110.3240	0.000	1	110.3240	0.000	1	110.9201	0.406	8	111.6615	0.644	43	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:2:3:	3:3:	3:3:3:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:N[5]-3:	C[5,5a](C[5,5a]C[5a]N[5])(S[5a]C[5a])(C[5]C[5]C)	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]2)	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(N[5]C[5]C)	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>}	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]2){1|H<1>,1|N<3>,1|S<2>,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>}	111.5310	0.000	1	111.5310	0.000	1	110.9201	0.406	8	111.6615	0.644	43	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:2:3:	3:3:	3:3:3:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:N[5]-3:	C[5,5a](C[5,5a]C[5a]N[5])(S[5a]C[5a])(C[5]C[5]O)	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]2)	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(N[5]C[5]C)	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>}	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]2){1|H<1>,1|N<3>,1|O<1>,1|S<2>,2|C<3>}	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>}	111.6975	0.325	2	111.6975	0.105	2	110.9201	0.406	8	111.6615	0.644	43	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:2:3:	3:3:	3:3:3:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5a,5a]-3:C[5,5a]-3:	C[5a,5a]-3:C[5,6a]-3:C[5,5a]-3:	C[5,5a](C[5,5a]C[5a,5a]C[5,6a])(S[5a]C[5a,5a])(C[5]C[5,6a]C)	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5,5a]C[5,5a]C[5])	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[5,5a](C[5,5a]C[5a,5a]C[5,6a])(S[5a]C[5a,5a])(C[5]C[5,6a]C){4|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5,5a]C[5,5a]C[5]){2|C<2>,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>}	113.1420	0.000	2	113.1420	0.000	2	113.1420	0.000	2	111.6615	0.644	43	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:2:3:	3:3:	3:3:3:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5a,6a]-3:C[5,5a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a](C[5,5a]C[5a,6a]C[5])(S[5a]C[5a,6a])(C[5]C[5]C)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])	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){4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5]){1|H<1>,5|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>}	112.9580	0.000	1	112.9580	0.000	1	112.7530	0.084	2	111.6615	0.644	43	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:2:3:	3:3:	3:3:3:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5a,6a]-3:C[5,5a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a](C[5,5a]C[5a,6a]C[5])(S[5a]C[5a,6a])(C[5]N[5]C)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])	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){1|C<4>,1|O<1>,2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5]){1|H<1>,1|N<3>,4|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>}	112.5480	0.000	1	112.5480	0.000	1	112.7530	0.084	2	111.6615	0.644	43	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:2:3:	3:3:	3:3:3:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5a,6a]-3:C[5,5a]-3:	C[5a,6a]-3:C[5,5a]-3:N[5]-3:	C[5,5a](C[5,5a]C[5a,6a]N[5])(S[5a]C[5a,6a])(C[5]C[5]2)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]C[5])(N[5]C[5]C)	C[5,5a](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>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5]){1|H<1>,1|N<3>,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>}	112.0340	0.000	1	112.0340	0.000	1	112.0340	0.000	1	111.6615	0.644	43	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:2:3:	3:3:	3:3:4:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5,5a]-3:C[5,5a]-3:	C[5,5a]-3:C[5,5a]-3:S[5]-4:	C[5,5a](C[5,5a]C[5,5a]S[5])(S[5a]C[5,5a])(C[5]C[5]H)	S[5a](C[5,5a]C[5,5a]C[5])2	C[5,5a](C[5,5a]C[5,5a]S[5])(C[5,5a]S[5a]C[5])(S[5]C[5]OO)	C[5,5a](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>}	S[5a](C[5,5a]C[5,5a]C[5])2{2|C<3>,2|H<1>,2|S<4>}	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>}	112.4945	0.271	2	112.4945	0.073	2	112.4945	0.073	2	111.4126	1.090	5	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:2:3:	3:3:	3:3:4:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:S[5]-4:	C[5,5a](C[5,5a]C[5a]S[5])(S[5a]C[5a])(C[5]C[5]H)	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]2)	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(S[5]C[5]OO)	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>}	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]2){1|S<2>,1|S<4>,2|C<3>,2|H<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>}	111.1940	0.000	1	111.1940	0.000	1	110.6913	0.193	3	111.4126	1.090	5	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:2:3:	3:3:	3:3:4:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:S[5]-4:	C[5,5a](C[5,5a]C[5a]S[5])(S[5a]C[5a])(C[5]C[5]H)	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(S[5]C[5]OO)	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>}	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]H){1|C<3>,1|S<4>,2|H<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>}	110.4400	0.078	2	110.4400	0.006	2	110.6913	0.193	3	111.4126	1.090	5	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:2:3:	3:3:	3:4:3:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5,5a](C[5,5a]C[5a]C[5])(S[5a]C[5a])(C[5]C[5]O)	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)	C[5,5a](C[5,5a]S[5a]C[5])(C[5]C[6a]C[5]H)(C[5a]C[5a]H)	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>}	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]H){1|H<1>,1|O<1>,2|C<4>}	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>}	112.9980	0.000	1	112.9980	0.000	1	112.9383	0.022	3	112.9085	0.018	4	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:2:3:	3:3:	3:4:3:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5,5a](C[5,5a]C[5a]C[5])(S[5a]C[5a])(C[5]C[5]S)	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)	C[5,5a](C[5,5a]S[5a]C[5])(C[5]C[6a]2C[5])(C[5a]C[5a]H)	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>}	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|S<1>}	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>}	112.7700	0.000	1	112.7700	0.000	1	112.9383	0.022	3	112.9085	0.018	4	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:2:3:	3:3:	3:4:3:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5,5a](C[5,5a]C[5a]C[5])(S[5a]C[5a])(C[5]N[5]O)	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)	C[5,5a](C[5,5a]S[5a]C[5])(C[5]C[6a]N[5]H)(C[5a]C[5a]H)	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>}	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<3>,1|O<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>}	113.0470	0.000	1	113.0470	0.000	1	112.9383	0.022	3	112.9085	0.018	4	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:2:3:	3:3:	3:4:3:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5a,6a]-3:C[5,5a]-3:	C[5a,6a]-3:C[5,5]-4:C[5,5a]-3:	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(S[5a]C[5a,6a])(C[5]C[5]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])	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[5,5a](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>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5]){1|C<4>,2|H<1>,3|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>}	112.8190	0.000	1	112.8190	0.000	1	112.8190	0.000	1	112.9085	0.018	4	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:2:4:	3:3:	3:3:4:	C[5,5a]-3:S[5a]-2:C[5]-4:	C[5a,6a]-3:C[5,5a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5,5a](C[5,5a]C[5a,6a]C[5])(S[5a]C[5a,6a])(C[5]C[5]HH)	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5,5a]C[5,5a]C[5])	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]C[5])(C[5]C[5]HH)	C[5,5a](C[5,5a]C[5a,6a]C[5])(S[5a]C[5a,6a])(C[5]C[5]HH){1|C<3>,1|N<2>,4|H<1>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5,5a]C[5,5a]C[5]){2|C<3>,2|C<4>,2|H<1>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]C[5])(C[5]C[5]HH){1|N<2>,1|N<3>,1|O<1>,4|H<1>}	113.0710	0.089	2	113.0710	0.008	2	113.0710	0.008	2	113.0710	0.008	2	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:2:2:	C[5,5a]-3:N[5]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:S[5a]-2:S[5]-2:	C[5,5a](C[5,5a]S[5a]S[5])(N[5]C[6a]C[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]N[5])(C[5a]S[5a]O)	C[5,5a](C[5,5a]S[5a]N[5])(S[5a]C[5a])(S[5]C[5])	C[5,5a](C[5,5a]S[5a]S[5])(N[5]C[6a]C[5])(S[5a]C[5a]){1|O<1>,1|S<1>,2|C<3>}	S[5a](C[5,5a]C[5,5a]N[5])(C[5a]S[5a]O){1|S<2>,2|C<3>}	C[5,5a](C[5,5a]S[5a]N[5])(S[5a]C[5a])(S[5]C[5]){1|C<3>,1|O<1>,1|S<1>}	118.6767	1.234	3	118.6767	1.524	3	118.6767	1.524	3	118.6767	1.524	3	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:2:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5,5]C[5a])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C[6a])	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5,5]C[5a])(S[5a]C[5a])	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5,5]C[5a])(S[5a]C[5a]){1|H<1>,2|O<2>,3|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5,5]C[5a])(S[5a]C[5a]){1|H<1>,2|O<2>,3|C<3>}	138.6720	0.000	1	138.6720	0.000	1	136.3919	17.932	7	125.6593	185.983	12	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:2:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]C[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C[6a])	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]C[5])(S[5a]C[5a])	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>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C[6a]){1|H<1>,1|S<2>,4|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>}	139.7290	0.000	1	139.7290	0.000	1	136.3919	17.932	7	125.6593	185.983	12	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:2:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]C[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(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[5,5a](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>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H){1|H<1>,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]){2|H<1>,3|C<3>}	137.7210	0.000	1	137.7210	0.000	1	136.3919	17.932	7	125.6593	185.983	12	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:2:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]Ge[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C[6a])	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]Ge[5])(S[5a]C[5a])	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]Ge[5])(S[5a]C[5a]){1|H<1>,5|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C[6a]){1|Ge<4>,1|H<1>,1|S<2>,3|C<3>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]Ge[5])(S[5a]C[5a]){1|H<1>,5|C<3>}	130.6100	0.000	1	130.6100	0.000	1	136.3919	17.932	7	125.6593	185.983	12	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:2:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]S[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]S[5])(S[5a]C[5a])	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]S[5])(S[5a]C[5a]){1|H<1>,2|O<1>,3|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C){1|C<3>,1|H<1>,1|S<2>,1|S<4>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]S[5])(S[5a]C[5a]){1|H<1>,2|O<1>,3|C<3>}	134.7100	0.000	1	134.7100	0.000	1	136.3919	17.932	7	125.6593	185.983	12	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:2:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]Si[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C[6a])	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]Si[5])(S[5a]C[5a])	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]Si[5])(S[5a]C[5a]){1|H<1>,5|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C[6a]){1|Si<4>,1|H<1>,1|S<2>,3|C<3>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]Si[5])(S[5a]C[5a]){1|H<1>,5|C<3>}	131.4980	0.000	1	131.4980	0.000	1	136.3919	17.932	7	125.6593	185.983	12	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:2:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]N[5a]C[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]N[5a]Si)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]N[5a]C[5])(S[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]){1|Si<4>,1|C<3>,1|N<2>,1|O<1>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]N[5a]Si){1|S<2>,2|C<3>}	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>}	141.8030	0.000	1	141.8030	0.000	1	136.3919	17.932	7	125.6593	185.983	12	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:2:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5]-3:N[5a]-2:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]N[5a]C[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]N[5a]Si)	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]){1|Si<4>,1|C<3>,1|N<2>,1|O<1>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]N[5a]Si){1|S<2>,2|C<3>}	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>}	109.5130	0.000	1	109.5130	0.000	1	109.5130	0.000	1	125.6593	185.983	12	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:2:	C[5,5a]-3:C[5,6a]-3:S[5a]-2:	C[5,5a]-3:C[5,5a]-3:	C[5,5a]-3:C[5,5a]-3:Se[5]-2:	C[5,5a](C[5,5a]C[5,5a]Se[5])(C[5,6a]C[5,6a]2)(S[5a]C[5,5a])	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5,5a]C[5,5a]C[5])	C[5,5a](C[5,5a]C[5,5a]Se[5])(C[5,5a]C[5,6a]S[5a])(Se[5]C[5,6a])	C[5,5a](C[5,5a]C[5,5a]Se[5])(C[5,6a]C[5,6a]2)(S[5a]C[5,5a]){1|Se<2>,4|C<3>}	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5,5a]C[5,5a]C[5]){2|Se<2>,1|H<1>,3|C<3>}	C[5,5a](C[5,5a]C[5,5a]Se[5])(C[5,5a]C[5,6a]S[5a])(Se[5]C[5,6a]){4|C<3>}	110.3140	0.175	2	110.3140	0.031	2	110.3140	0.031	2	125.6593	185.983	12	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:2:	C[5,5a]-3:N[5,6]-3:S[5a]-2:	C[5a,6]-3:C[5,5a]-3:	C[5,5a]-3:N[5a,6]-3:S[5]-2:	C[5,5a](C[5,5a]N[5a,6]S[5])(N[5,6]C[5,6]B[6])(S[5a]C[5a,6])	S[5a](C[5a,6]C[6,6a]N[5a,6])(C[5,5a]C[5,5a]N[5,6])	C[5,5a](C[5,5a]N[5,6]S[5a])(N[5a,6]C[5a,6]B[6])(S[5]C[5,6])	C[5,5a](C[5,5a]N[5a,6]S[5])(N[5,6]C[5,6]B[6])(S[5a]C[5a,6]){1|B<4>,1|O<2>,4|C<3>}	S[5a](C[5a,6]C[6,6a]N[5a,6])(C[5,5a]C[5,5a]N[5,6]){1|S<2>,2|B<4>,3|C<3>}	C[5,5a](C[5,5a]N[5,6]S[5a])(N[5a,6]C[5a,6]B[6])(S[5]C[5,6]){1|B<4>,1|O<2>,4|C<3>}	111.5135	0.100	2	111.5135	0.010	2	111.5135	0.010	2	125.6593	185.983	12	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:As[5]-3:C[5a]-3:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]As[5]C[5a])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]Br)	C[5,5a](C[5,5a]C[5,5a]S[5a])(As[5]C[5,5a]C[6a])(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]As[5]C[5a])(S[5a]C[5a]){1|Br<1>,1|H<1>,3|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]Br){1|As<3>,1|C<3>,1|H<1>,1|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(As[5]C[5,5a]C[6a])(C[5a]C[5a]H){1|Br<1>,1|S<2>,3|C<3>}	112.4780	0.601	4	112.4780	0.361	4	112.1875	0.344	10	112.3818	1.397	74	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:As[5]-3:C[5a]-3:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]As[5]C[5a])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C[6a])	C[5,5a](C[5,5a]C[5,5a]S[5a])(As[5]C[5,5a]C[6a])(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]As[5]C[5a])(S[5a]C[5a]){1|H<1>,4|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C[6a]){1|As<3>,1|H<1>,1|S<2>,3|C<3>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(As[5]C[5,5a]C[6a])(C[5a]C[5a]H){1|S<2>,4|C<3>}	112.1377	0.566	4	112.1377	0.320	4	112.1875	0.344	10	112.3818	1.397	74	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:As[5]-3:C[5a]-3:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]As[5]C[5a])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(As[5]C[5,5a]C[6a])(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]As[5]C[5a])(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H){1|As<3>,1|C<3>,1|H<1>,1|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(As[5]C[5,5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|S<2>,3|C<3>}	111.7060	0.494	2	111.7060	0.244	2	112.1875	0.344	10	112.3818	1.397	74	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:B[5]-3:C[5a]-3:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]B[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]Si)	C[5,5a](C[5,5a]C[5,5a]S[5a])(B[5]C[5,5a]C[6a])(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]B[5])(S[5a]C[5a]){1|Si<4>,1|H<1>,3|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]Si){1|B<3>,1|C<3>,1|H<1>,1|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(B[5]C[5,5a]C[6a])(C[5a]C[5a]H){1|Si<4>,1|S<2>,3|C<3>}	112.6965	0.039	2	112.6965	0.002	2	112.6965	0.002	2	112.3818	1.397	74	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]C[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]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]){1|H<1>,4|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]2){1|H<1>,2|S<2>,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){1|S<2>,2|C<3>}	110.3545	3.649	2	110.3545	13.318	2	111.9234	1.534	33	112.3818	1.397	74	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]C[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]Br)	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]){1|Br<1>,1|H<1>,1|O<1>,2|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]Br){1|H<1>,1|S<2>,2|C<3>}	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>}	111.8236	1.037	8	111.8236	1.076	8	111.9234	1.534	33	112.3818	1.397	74	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]C[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C)	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]){1|H<1>,1|O<1>,3|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C){1|H<1>,1|S<2>,2|C<3>}	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>}	112.6615	0.035	2	112.6615	0.001	2	111.9234	1.534	33	112.3818	1.397	74	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]C[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C[6a])	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]){1|H<1>,4|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	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>}	112.0495	0.442	6	112.0495	0.195	6	111.9234	1.534	33	112.3818	1.397	74	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]C[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C[6a])	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]){1|H<1>,1|O<1>,3|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	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>}	111.5980	0.000	1	111.5980	0.000	1	111.9234	1.534	33	112.3818	1.397	74	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]C[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H)	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]){1|C<2>,2|C<3>,2|H<1>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	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>}	111.6810	0.016	2	112.3255	0.281	11	111.9234	1.534	33	112.3818	1.397	74	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]C[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H)	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]){2|H<1>,3|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	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>}	112.4688	0.474	9	112.3255	0.281	11	111.9234	1.534	33	112.3818	1.397	74	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]C[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H)	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]){2|H<1>,3|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<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){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	112.8900	0.000	1	112.8900	0.000	1	111.9234	1.534	33	112.3818	1.397	74	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]C[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]S)	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]){1|H<1>,1|S<2>,3|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]S){1|H<1>,1|S<2>,2|C<3>}	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>}	110.2420	3.128	2	110.2420	9.786	2	111.9234	1.534	33	112.3818	1.397	74	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:P[5]-3:C[5a]-3:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]P[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(P[5]C[5,5a]C[6a])(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]P[5])(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|P<3>,1|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(P[5]C[5,5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|S<2>,3|C<3>}	111.9385	0.086	2	111.9385	0.007	2	111.9385	0.007	2	112.3818	1.397	74	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5a,6a]-3:C[5,5a]-3:	C[5a,6a]-3:C[5,5a]-3:B[5]-3:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a,6a]B[5])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]2)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]S[5a])(B[5]C[5,5a]C[6a])	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a,6a]B[5])(S[5a]C[5a,6a]){5|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]2){1|B<3>,1|H<1>,1|S<2>,3|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]S[5a])(B[5]C[5,5a]C[6a]){1|H<1>,1|S<2>,5|C<3>}	114.5885	0.120	2	114.5885	0.014	2	114.5885	0.014	2	112.3818	1.397	74	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:3:	C[5,5a]-3:C[5,6a]-3:S[5a]-2:	C[5,5a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5,5a]-3:B[5]-3:	C[5,5a](C[5,5a]C[5a,6a]B[5])(C[5,6a]C[5,6a]C[6a])(S[5a]C[5a,6a])	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]S[5a])(B[5]C[5,6a]C[6a])	C[5,5a](C[5,5a]C[5a,6a]B[5])(C[5,6a]C[5,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,5|C<3>}	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a]){1|B<3>,1|H<1>,4|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]S[5a])(B[5]C[5,6a]C[6a]){1|H<1>,6|C<3>}	115.8510	0.000	1	115.8510	0.000	1	115.8510	0.000	1	112.3818	1.397	74	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:3:	C[5,5a]-3:C[5,6a]-3:S[5a]-2:	C[5,5a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-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])	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])	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]){1|H<1>,5|C<3>}	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]C[6a]){1|H<1>,6|C<3>}	113.7367	0.103	3	113.7367	0.011	3	113.7367	0.011	3	112.3818	1.397	74	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:3:	C[5,5a]-3:C[5,6a]-3:S[5a]-2:	C[5a,5a]-3:C[5,5a]-3:	C[5a,5a]-3:C[5,6a]-3:C[5,5a]-3:	C[5,5a](C[5,5a]C[5a,5a]C[5,6a])(C[5,6a]C[5,6a,6a]C[6a])(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5,5a]C[5,5a]C[5,6a])	C[5,5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]S[5a])	C[5,5a](C[5,5a]C[5a,5a]C[5,6a])(C[5,6a]C[5,6a,6a]C[6a])(S[5a]C[5a,5a]){1|H<1>,5|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5,5a]C[5,5a]C[5,6a]){6|C<3>}	C[5,5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]S[5a]){1|H<1>,6|C<3>}	113.2430	0.000	1	113.2430	0.000	1	113.2430	0.000	1	112.3818	1.397	74	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:3:	C[5,5a]-3:C[5]-3:S[5a]-2:	C[5,5a]-3:C[5,5a]-3:	C[5,5a]-3:C[5,6a]-3:C[5,5a]-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])	S[5a](C[5,5a]C[5,5a]C[5])2	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[5,5a](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>}	S[5a](C[5,5a]C[5,5a]C[5])2{6|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>}	113.6395	0.108	2	113.6395	0.012	2	113.6395	0.012	2	112.3818	1.397	74	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:3:	C[5,5a]-3:C[5]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:C[5a]-3:	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]C)(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,5a]S[5a]C[5])(C[5a]C[5a]H)	C[5,5a](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>}	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]H){1|H<1>,3|C<3>}	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>}	112.2715	0.190	2	112.2715	0.036	2	112.2087	0.573	6	112.3818	1.397	74	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:3:	C[5,5a]-3:C[5]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:C[5a]-3:	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]O)(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,5a]S[5a]C[5])(C[5a]C[5a]Br)	C[5,5a](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>}	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]H){1|Br<1>,1|O<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>}	112.7015	1.303	2	112.7015	1.698	2	112.2087	0.573	6	112.3818	1.397	74	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:3:	C[5,5a]-3:C[5]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:C[5a]-3:	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]O)(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]Si)	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,5a]S[5a]C[5])(C[5a]C[5a]H)	C[5,5a](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>}	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]Si){1|H<1>,1|O<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]H){1|Si<4>,1|C<3>,1|H<1>,1|O<1>,1|S<2>}	111.6530	0.136	2	111.6530	0.018	2	112.2087	0.573	6	112.3818	1.397	74	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:3:	C[5,5a]-3:C[5]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C)(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]C[6a])	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]S[5a]C[5])(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C)(S[5a]C[5a]){1|H<1>,3|C<3>}	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]C[6a]){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>}	111.4040	0.000	1	111.4040	0.000	1	111.6300	0.066	3	112.3818	1.397	74	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:3:	C[5,5a]-3:C[5]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C)(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]S[5a]C[5])(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C)(S[5a]C[5a]){2|C<3>,2|H<1>}	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]H){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){2|H<1>,3|C<3>}	111.5770	0.000	1	111.5770	0.000	1	111.6300	0.066	3	112.3818	1.397	74	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:3:	C[5,5a]-3:C[5]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]2)	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]S[5a]C[5])(C[5a]C[5a]H)	C[5,5a](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>}	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]2){1|H<1>,1|S<2>,4|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]S[5a]C[5])(C[5a]C[5a]H){1|H<1>,4|C<3>}	111.9090	0.000	1	111.9090	0.000	1	111.6300	0.066	3	112.3818	1.397	74	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:3:	C[5,5a]-3:C[5]-3:S[5a]-2:	C[5a,5a]-3:C[5,5a]-3:	C[5a,5a]-3:C[5,6a]-3:C[5,5a]-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])	S[5a](C[5a,5a]C[5a,5a]C[5,5a])(C[5,5a]C[5,5a]C[5])	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[5,5a](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>}	S[5a](C[5a,5a]C[5a,5a]C[5,5a])(C[5,5a]C[5,5a]C[5]){1|S<2>,5|C<3>}	C[5,5a](C[5a,5a]C[5a,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]S[5a]C[5]){1|H<1>,5|C<3>}	113.7190	0.000	1	113.7190	0.000	1	113.7190	0.000	1	112.3818	1.397	74	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:3:	C[5,5a]-3:C[5]-3:S[5a]-2:	C[5a,6a]-3:C[5,5a]-3:	C[5a,6a]-3:C[5,6a]-3:C[5,5a]-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])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])	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[5,5a](C[5,5a]C[5a,6a]C[5,6a])(C[5]C[5,6a]C[6a])(S[5a]C[5a,6a]){6|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5]){1|H<1>,5|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]S[5a]C[5]){2|H<1>,5|C<3>}	113.1458	0.205	5	113.1458	0.042	5	113.1458	0.042	5	112.3818	1.397	74	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]C)	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]){1|C<4>,2|H<1>,3|C<3>}	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	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>}	112.1420	0.000	1	112.1420	0.000	1	112.4293	0.465	3	112.3818	1.397	74	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]C)	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]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	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>}	111.9380	0.000	1	111.9380	0.000	1	112.4293	0.465	3	112.3818	1.397	74	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]C)(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]){3|C<3>,3|H<1>}	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5,5a](C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]C)(C[5a]C[5a]H){1|H<1>,2|C<3>}	113.2080	0.000	1	113.2080	0.000	1	112.4293	0.465	3	112.3818	1.397	74	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:4:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5,5a]-3:	C[5,5a]-3:C[5,5a]-3:S[5]-4:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5,5a]S[5])(S[5a]C[5,5a])	S[5a](C[5,5a]C[5,5a]2)2	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5,5a]S[5])(S[5]C[5,5a]OO)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5,5a]S[5])(S[5a]C[5,5a]){1|S<4>,2|O<1>,3|C<3>}	S[5a](C[5,5a]C[5,5a]2)2{2|C<3>,2|S<2>,2|S<4>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5,5a]S[5])(S[5]C[5,5a]OO){1|S<2>,2|O<1>,3|C<3>}	111.5820	0.000	1	111.5820	0.000	1	111.5820	0.000	1	113.6134	1.350	40	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:4:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5,5a]-3:	C[5a,5a]-3:C[5,5a]-3:P[5]-4:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a,5a]P[5])(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5,5a]C[5,5a]2)	C[5,5a](C[5a,5a]C[5a,5a]S[5a])(C[5,5a]C[5,5a]S[5a])(P[5]C[5,5a]C[6a]O)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a,5a]P[5])(S[5a]C[5a,5a]){1|O<1>,1|S<2>,4|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5,5a]C[5,5a]2){1|C<4>,1|P<4>,2|C<3>,2|S<2>}	C[5,5a](C[5a,5a]C[5a,5a]S[5a])(C[5,5a]C[5,5a]S[5a])(P[5]C[5,5a]C[6a]O){1|S<2>,5|C<3>}	113.9230	1.652	4	113.9230	2.728	4	113.9230	2.728	4	113.6134	1.350	40	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:4:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5,5a]-3:	C[5a,5a]-3:C[5,5a]-3:S[5]-4:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a,5a]S[5])(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5,5a]C[5,5a]2)	C[5,5a](C[5a,5a]C[5a,5a]S[5a])(C[5,5a]C[5,5a]S[5a])(S[5]C[5,5a]OO)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a,5a]S[5])(S[5a]C[5a,5a]){1|S<2>,2|O<1>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5,5a]C[5,5a]2){1|S<4>,2|C<3>,3|S<2>}	C[5,5a](C[5a,5a]C[5a,5a]S[5a])(C[5,5a]C[5,5a]S[5a])(S[5]C[5,5a]OO){1|S<2>,3|C<3>}	113.4750	0.000	1	113.4750	0.000	1	113.4750	0.000	1	113.6134	1.350	40	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:4:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5a,6a]-3:C[5,5a]-3:	C[5a,6a]-3:C[5,5a]-3:P[5]-4:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a,6a]P[5])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]2)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]S[5a])(P[5]C[5,5a]C[5a]O)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a,6a]P[5])(S[5a]C[5a,6a]){1|O<1>,5|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]2){1|H<1>,1|P<4>,1|S<2>,3|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]S[5a])(P[5]C[5,5a]C[5a]O){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	113.5760	0.170	4	113.5760	0.029	4	113.5796	0.022	10	113.6134	1.350	40	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:4:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5a,6a]-3:C[5,5a]-3:	C[5a,6a]-3:C[5,5a]-3:P[5]-4:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a,6a]P[5])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]2)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]S[5a])(P[5]C[5,5a]C[6a]C)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a,6a]P[5])(S[5a]C[5a,6a]){1|C<4>,5|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]2){1|H<1>,1|P<4>,1|S<2>,3|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]S[5a])(P[5]C[5,5a]C[6a]C){1|H<1>,1|S<2>,5|C<3>}	113.5820	0.152	6	113.5820	0.023	6	113.5796	0.022	10	113.6134	1.350	40	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:4:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5a,6a]-3:C[5,5a]-3:	C[5a,6a]-3:C[5,5a]-3:Si[5]-4:	C[5,5a](C[5,5a]C[5a,6a]Si[5])(C[5,5a]C[5,5a]S[5a])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]2)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]S[5a])(Si[5]C[5,5a]CC)	C[5,5a](C[5,5a]C[5a,6a]Si[5])(C[5,5a]C[5,5a]S[5a])(S[5a]C[5a,6a]){2|C<4>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]2){1|Si<4>,1|H<1>,1|S<2>,3|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]S[5a])(Si[5]C[5,5a]CC){1|H<1>,1|S<2>,3|C<3>}	114.6610	0.085	2	114.6610	0.007	2	114.6610	0.007	2	113.6134	1.350	40	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:4:	C[5,5a]-3:C[5,6]-3:S[5a]-2:	C[5a,6a]-3:C[5,5a]-3:	C[5a,6a]-3:C[5,5a]-3:B[5]-4:	C[5,5a](C[5,5a]C[5a,6a]B[5])(C[5,6]N[5,6]C[6])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6])	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[5,5a](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>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6]){1|B<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]S[5a])(B[5]N[5,6]CC){1|H<1>,4|C<3>}	115.6260	0.000	1	115.6260	0.000	1	115.6260	0.000	1	113.6134	1.350	40	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:4:	C[5,5a]-3:C[5,6a]-3:S[5a]-2:	C[5,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5,5a]-3:C[5]-4:	C[5,5a](C[5,5a]C[5a,5a]C[5])(C[5,6a]C[5,6a]C[6a])(S[5a]C[5a,5a])	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,5a]C[5a,5a]C[5a])	C[5,5a](C[5a,5a]C[5a,5a]S[5a])(C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]C[6a]2)	C[5,5a](C[5,5a]C[5a,5a]C[5])(C[5,6a]C[5,6a]C[6a])(S[5a]C[5a,5a]){1|H<1>,1|S<2>,5|C<3>}	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,5a]C[5a,5a]C[5a]){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[5,5a](C[5a,5a]C[5a,5a]S[5a])(C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]C[6a]2){8|C<3>}	114.9882	0.416	4	114.9882	0.173	4	114.9882	0.173	4	113.6134	1.350	40	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:4:	C[5,5a]-3:C[5,6a]-3:S[5a]-2:	C[5,5a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(S[5a]C[5a,6a])	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]C[6a]2)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,6|C<3>}	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]C[6a]2){1|H<1>,8|C<3>}	114.9720	0.000	1	114.9720	0.000	1	114.9720	0.000	1	113.6134	1.350	40	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:4:	C[5,5a]-3:C[5,6a]-3:S[5a]-2:	C[5,5a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5,5a]-3:P[5]-4:	C[5,5a](C[5,5a]C[5a,6a]P[5])(C[5,6a]C[5,6a]C[6a])(S[5a]C[5a,6a])	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]S[5a])(P[5]C[5,6a]C[6a]C)	C[5,5a](C[5,5a]C[5a,6a]P[5])(C[5,6a]C[5,6a]C[6a])(S[5a]C[5a,6a]){1|C<4>,1|H<1>,5|C<3>}	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|P<4>,4|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]S[5a])(P[5]C[5,6a]C[6a]C){1|H<1>,6|C<3>}	113.5120	0.000	1	113.5120	0.000	1	113.6015	0.136	4	113.6134	1.350	40	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:4:	C[5,5a]-3:C[5,6a]-3:S[5a]-2:	C[5,5a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5,5a]-3:P[5]-4:	C[5,5a](C[5,5a]C[5a,6a]P[5])(C[5,6a]C[5,6a]C[6a])(S[5a]C[5a,6a])	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]S[5a])(P[5]C[5,6a]C[6a]O)	C[5,5a](C[5,5a]C[5a,6a]P[5])(C[5,6a]C[5,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,1|O<1>,5|C<3>}	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|P<4>,4|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]S[5a])(P[5]C[5,6a]C[6a]O){1|H<1>,6|C<3>}	113.6313	0.445	3	113.6313	0.198	3	113.6015	0.136	4	113.6134	1.350	40	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:4:	C[5,5a]-3:C[5,6a]-3:S[5a]-2:	C[5,5a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5,5a]-3:S[5]-4:	C[5,5a](C[5,5a]C[5a,6a]S[5])(C[5,6a]C[5,6a]C[6a])(S[5a]C[5a,6a])	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]S[5a])(S[5]C[5,6a]OO)	C[5,5a](C[5,5a]C[5a,6a]S[5])(C[5,6a]C[5,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,2|O<1>,4|C<3>}	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|S<4>,4|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]S[5a])(S[5]C[5,6a]OO){1|H<1>,4|C<3>}	112.2070	0.468	2	112.2070	0.219	2	112.2070	0.219	2	113.6134	1.350	40	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:4:	C[5,5a]-3:C[5,6a]-3:S[5a]-2:	C[5,5a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5,5a]-3:Si[5]-4:	C[5,5a](C[5,5a]C[5a,6a]Si[5])(C[5,6a]C[5,6a]C[6a])(S[5a]C[5a,6a])	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]S[5a])(Si[5]C[5,6a]CC)	C[5,5a](C[5,5a]C[5a,6a]Si[5])(C[5,6a]C[5,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,2|C<4>,4|C<3>}	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a]){1|Si<4>,1|H<1>,4|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]S[5a])(Si[5]C[5,6a]CC){1|H<1>,4|C<3>}	114.2990	0.284	2	114.2990	0.081	2	114.2990	0.081	2	113.6134	1.350	40	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:4:	C[5,5a]-3:C[5]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:S[5]-4:	C[5,5a](C[5,5a]C[5a]S[5])(C[5]C[6a]C[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]C[6a])	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]C[6a])(S[5]C[5]OO)	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>}	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]C[6a]){1|S<4>,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>}	110.7265	0.019	2	110.7265	0.000	2	110.7265	0.000	2	113.6134	1.350	40	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:4:	C[5,5a]-3:C[5]-3:S[5a]-2:	C[5a,5a]-3:C[5,5a]-3:	C[5a,5a]-3:C[5,5a]-3:P[5]-4:	C[5,5a](C[5,5a]C[5a,5a]P[5])(C[5]C[5a]C[5])(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5,5a]C[5,5a]C[5])	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[5,5a](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>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5,5a]C[5,5a]C[5]){1|H<1>,1|P<4>,1|S<2>,3|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>}	113.0620	0.000	1	113.0620	0.000	1	113.0620	0.000	1	113.6134	1.350	40	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:4:	C[5,5a]-3:C[5]-3:S[5a]-2:	C[5a,6a]-3:C[5,5a]-3:	C[5a,6a]-3:C[5,5a]-3:P[5]-4:	C[5,5a](C[5,5a]C[5a,6a]P[5])(C[5]C[5a]C[5])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])	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[5,5a](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>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5]){1|H<1>,1|P<4>,4|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>}	112.9050	0.000	1	112.9050	0.000	1	112.9050	0.000	1	113.6134	1.350	40	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:4:	C[5,5a]-3:C[5]-3:S[5a]-2:	C[5a,6a]-3:C[5,5a]-3:	C[5a,6a]-3:C[5,5a]-3:Si[5]-4:	C[5,5a](C[5,5a]C[5a,6a]Si[5])(C[5]C[5a]C[5])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]C[5])(Si[5]C[5]CC)	C[5,5a](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>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5]){1|Si<4>,1|H<1>,4|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>}	113.2465	0.289	2	113.2465	0.084	2	113.2465	0.084	2	113.6134	1.350	40	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:4:	C[5,6a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5,5a]-3:	C[5,5a]-3:C[5,5a]-3:C[5]-4:	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5,5a]C[5])(S[5a]C[5,5a])	S[5a](C[5,5a]C[5,5a]C[5,6a])2	C[5,5a](C[5,5a]C[5,6a]S[5a])(C[5,5a]C[5,5a]C[5])(C[5]C[5,6a]HH)	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5,5a]C[5])(S[5a]C[5,5a]){1|C<4>,3|C<3>,3|H<1>}	S[5a](C[5,5a]C[5,5a]C[5,6a])2{2|C<4>,4|C<3>}	C[5,5a](C[5,5a]C[5,6a]S[5a])(C[5,5a]C[5,5a]C[5])(C[5]C[5,6a]HH){2|H<1>,4|C<3>}	113.3930	0.000	2	113.3930	0.000	2	113.3930	0.000	2	113.6134	1.350	40	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:4:3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5]-4:C[5a]-3:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5,5]C[5a])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]2)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5]C[5,5a]O[5]2)(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5,5]C[5a])(S[5a]C[5a]){1|H<1>,2|O<2>,3|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]2){1|C<4>,1|H<1>,2|C<3>,2|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5]C[5,5a]O[5]2)(C[5a]C[5a]H){1|S<2>,2|C<3>,2|C<4>}	111.9750	0.000	1	111.9750	0.000	1	112.0929	0.275	7	112.0468	0.598	90	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:4:3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5]-4:C[5a]-3:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5,5]C[5a])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C[6a])	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5]C[5,5a]O[5]2)(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5,5]C[5a])(S[5a]C[5a]){1|H<1>,2|O<2>,3|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5]C[5,5a]O[5]2)(C[5a]C[5a]H){1|S<2>,2|C<3>,2|C<4>}	112.2370	0.540	5	112.2370	0.292	5	112.0929	0.275	7	112.0468	0.598	90	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:4:3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5]-4:C[5a]-3:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5,5]C[5a])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]S)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5]C[5,5a]O[5]2)(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5,5]C[5a])(S[5a]C[5a]){1|H<1>,1|S<2>,2|C<3>,2|O<2>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]S){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5]C[5,5a]O[5]2)(C[5a]C[5a]H){1|C<3>,2|C<4>,2|S<2>}	111.4900	0.000	1	111.4900	0.000	1	112.0929	0.275	7	112.0468	0.598	90	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:4:3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,6]-4:C[5a]-3:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5,6]C[5a])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]Br)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,6]C[5,5a]C[6]2)(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5,6]C[5a])(S[5a]C[5a]){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]Br){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,6]C[5,5a]C[6]2)(C[5a]C[5a]H){1|Br<1>,1|C<3>,1|S<2>,2|C<4>,4|H<1>}	112.3495	0.025	2	112.3495	0.001	2	112.4161	0.082	7	112.0468	0.598	90	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:4:3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,6]-4:C[5a]-3:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5,6]C[5a])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,6]C[5,5a]C[6]2)(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5,6]C[5a])(S[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,6]C[5,5a]C[6]2)(C[5a]C[5a]H){1|C<3>,1|S<2>,2|C<4>,5|H<1>}	112.5680	0.235	4	112.5680	0.055	4	112.4161	0.082	7	112.0468	0.598	90	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:4:3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,6]-4:C[5a]-3:	C[5,5a](C[5,5a]N[5,5a]N[5a])(C[5,5a]C[5,6]C[5a])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C[6a])	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,6]N[5,5a]C[6]2)(C[5a]C[5a]H)	C[5,5a](C[5,5a]N[5,5a]N[5a])(C[5,5a]C[5,6]C[5a])(S[5a]C[5a]){1|H<1>,5|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,6]N[5,5a]C[6]2)(C[5a]C[5a]H){1|N<2>,2|H<1>,4|C<3>}	111.9420	0.000	1	111.9420	0.000	1	112.4161	0.082	7	112.0468	0.598	90	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:4:3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]C[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]CC)(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]){1|H<1>,2|C<4>,3|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]CC)(C[5a]C[5a]H){1|S<2>,2|C<3>}	113.2493	0.835	6	113.2493	0.698	6	112.8029	0.885	9	112.0468	0.598	90	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:4:3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]C[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]HH)(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]){2|C<3>,4|H<1>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]HH)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|S<2>}	111.9100	0.027	3	111.9100	0.001	3	112.8029	0.885	9	112.0468	0.598	90	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:4:3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:Ge[5]-4:C[5a]-3:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]Ge[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C[6a])	C[5,5a](C[5,5a]C[5,5a]S[5a])(Ge[5]C[5,5a]C[6a]2)(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]Ge[5])(S[5a]C[5a]){1|H<1>,5|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C[6a]){1|Ge<4>,1|H<1>,1|S<2>,3|C<3>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(Ge[5]C[5,5a]C[6a]2)(C[5a]C[5a]H){1|S<2>,6|C<3>}	111.8430	0.000	1	111.8430	0.000	1	111.6858	0.041	5	112.0468	0.598	90	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:4:3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:Ge[5]-4:C[5a]-3:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]Ge[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(Ge[5]C[5,5a]Ge[5]C)(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]Ge[5])(S[5a]C[5a]){1|Ge<4>,1|C<4>,2|C<3>,2|H<1>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H){1|Ge<4>,1|C<3>,1|H<1>,1|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(Ge[5]C[5,5a]Ge[5]C)(C[5a]C[5a]H){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	111.6465	0.212	4	111.6465	0.045	4	111.6858	0.041	5	112.0468	0.598	90	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:4:3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:P[5]-4:C[5a]-3:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]P[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]Br)	C[5,5a](C[5,5a]C[5,5a]S[5a])(P[5]C[5,5a]C[6a]O)(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]P[5])(S[5a]C[5a]){1|Br<1>,1|H<1>,1|O<1>,3|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]Br){1|C<3>,1|H<1>,1|P<4>,1|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(P[5]C[5,5a]C[6a]O)(C[5a]C[5a]H){1|Br<1>,1|S<2>,3|C<3>}	111.6045	0.545	2	111.6045	0.297	2	111.7102	0.192	39	112.0468	0.598	90	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:4:3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:P[5]-4:C[5a]-3:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]P[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C[6])	C[5,5a](C[5,5a]C[5,5a]S[5a])(P[5]C[5,5a]C[6a]O)(C[5a]C[5a]Ir)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]P[5])(S[5a]C[5a]){1|Ir<6>,1|O<1>,4|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C[6]){1|Ir<6>,1|N<3>,1|P<4>,1|S<2>,2|C<3>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(P[5]C[5,5a]C[6a]O)(C[5a]C[5a]Ir){1|S<2>,4|C<3>}	112.4020	0.000	1	112.4020	0.000	1	111.7102	0.192	39	112.0468	0.598	90	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:4:3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:P[5]-4:C[5a]-3:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]P[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(P[5]C[5,5a]C[5a]O)(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]P[5])(S[5a]C[5a]){1|O<1>,2|H<1>,3|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|P<4>,1|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(P[5]C[5,5a]C[5a]O)(C[5a]C[5a]H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	111.7800	0.363	4	111.7776	0.099	5	111.7102	0.192	39	112.0468	0.598	90	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:4:3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:P[5]-4:C[5a]-3:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]P[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(P[5]C[5,5a]C[5a]O)(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]P[5])(S[5a]C[5a]){1|O<1>,2|H<1>,3|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|P<4>,1|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(P[5]C[5,5a]C[5a]O)(C[5a]C[5a]H){1|H<1>,2|C<3>,2|S<2>}	111.7680	0.000	1	111.7776	0.099	5	111.7102	0.192	39	112.0468	0.598	90	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:4:3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:P[5]-4:C[5a]-3:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]P[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(P[5]C[5,5a]C[6a]C)(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]P[5])(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|P<4>,1|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(P[5]C[5,5a]C[6a]C)(C[5a]C[5a]H){1|H<1>,1|S<2>,3|C<3>}	111.4246	0.314	8	111.4246	0.099	8	111.7102	0.192	39	112.0468	0.598	90	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:4:3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:P[5]-4:C[5a]-3:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]P[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(P[5]C[5,5a]C[6a]O)(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]P[5])(S[5a]C[5a]){1|O<1>,2|H<1>,3|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|P<4>,1|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(P[5]C[5,5a]C[6a]O)(C[5a]C[5a]H){1|H<1>,1|S<2>,3|C<3>}	111.8224	0.306	11	111.8224	0.094	11	111.7102	0.192	39	112.0468	0.598	90	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:4:3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:P[5]-4:C[5a]-3:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]P[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(P[5]C[5,5a]C[6a]W)(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]P[5])(S[5a]C[5a]){1|W<6>,2|H<1>,3|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|P<4>,1|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(P[5]C[5,5a]C[6a]W)(C[5a]C[5a]H){1|H<1>,1|S<2>,3|C<3>}	111.8419	0.459	8	111.8419	0.211	8	111.7102	0.192	39	112.0468	0.598	90	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:4:3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:P[5]-4:C[5a]-3:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]P[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]Si)	C[5,5a](C[5,5a]C[5,5a]S[5a])(P[5]C[5,5a]C[6a]Au)(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]P[5])(S[5a]C[5a]){1|Au<2>,1|Si<4>,1|H<1>,3|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]Si){1|C<3>,1|H<1>,1|P<4>,1|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(P[5]C[5,5a]C[6a]Au)(C[5a]C[5a]H){1|Si<4>,1|S<2>,3|C<3>}	110.9450	0.791	2	110.9450	0.625	2	111.7102	0.192	39	112.0468	0.598	90	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:4:3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:P[5]-4:C[5a]-3:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]P[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]Si)	C[5,5a](C[5,5a]C[5,5a]S[5a])(P[5]C[5,5a]C[6a]O)(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]P[5])(S[5a]C[5a]){1|Si<4>,1|H<1>,1|O<1>,3|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]Si){1|C<3>,1|H<1>,1|P<4>,1|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(P[5]C[5,5a]C[6a]O)(C[5a]C[5a]H){1|Si<4>,1|S<2>,3|C<3>}	112.0645	0.025	2	112.0645	0.001	2	111.7102	0.192	39	112.0468	0.598	90	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:4:3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:S[5]-4:C[5a]-3:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]S[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]2)	C[5,5a](C[5,5a]C[5,5a]S[5a])(S[5]C[5,5a]OO)(C[5a]C[5a]C)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]S[5])(S[5a]C[5a]){1|C<4>,2|O<1>,3|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]2){1|C<4>,1|S<4>,2|C<3>,2|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(S[5]C[5,5a]OO)(C[5a]C[5a]C){1|S<2>,2|C<3>}	111.8440	0.168	2	111.8440	0.028	2	111.2989	0.517	7	112.0468	0.598	90	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:4:3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:S[5]-4:C[5a]-3:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]S[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C)	C[5,5a](C[5,5a]C[5,5a]S[5a])(S[5]C[5,5a]OO)(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]S[5])(S[5a]C[5a]){1|H<1>,2|O<1>,3|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C){1|C<3>,1|H<1>,1|S<2>,1|S<4>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(S[5]C[5,5a]OO)(C[5a]C[5a]H){1|S<2>,2|C<3>}	112.0220	0.000	1	112.0220	0.000	1	111.2989	0.517	7	112.0468	0.598	90	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:4:3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:S[5]-4:C[5a]-3:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]S[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C[6a])	C[5,5a](C[5,5a]C[5,5a]S[5a])(S[5]C[5,5a]OO)(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]S[5])(S[5a]C[5a]){1|H<1>,2|O<1>,3|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C[6a]){1|H<1>,1|S<2>,1|S<4>,3|C<3>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(S[5]C[5,5a]OO)(C[5a]C[5a]H){1|S<2>,2|C<3>}	111.1300	0.212	2	111.1300	0.045	2	111.2989	0.517	7	112.0468	0.598	90	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:4:3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:S[5]-4:C[5a]-3:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]S[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(S[5]C[5,5a]OO)(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]S[5])(S[5a]C[5a]){2|C<3>,2|H<1>,2|O<1>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|S<2>,1|S<4>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(S[5]C[5,5a]OO)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|S<2>}	111.1800	0.000	1	111.1800	0.000	1	111.2989	0.517	7	112.0468	0.598	90	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:4:3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:S[5]-4:C[5a]-3:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]S[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]Si)	C[5,5a](C[5,5a]C[5,5a]S[5a])(S[5]C[5,5a]OO)(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]S[5])(S[5a]C[5a]){1|Si<4>,1|H<1>,2|C<3>,2|O<1>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]Si){1|C<3>,1|H<1>,1|S<2>,1|S<4>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(S[5]C[5,5a]OO)(C[5a]C[5a]H){1|Si<4>,1|C<3>,1|S<2>}	109.9420	0.000	1	109.9420	0.000	1	111.2989	0.517	7	112.0468	0.598	90	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:4:3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:Si[5]-4:C[5a]-3:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]Si[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]2)	C[5,5a](C[5,5a]C[5,5a]S[5a])(Si[5]C[5,5a]C[6a]2)(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]Si[5])(S[5a]C[5a]){1|H<1>,5|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]2){1|Si<4>,1|H<1>,2|C<3>,2|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(Si[5]C[5,5a]C[6a]2)(C[5a]C[5a]H){1|S<2>,6|C<3>}	112.0200	0.000	1	112.0200	0.000	1	112.1750	0.025	3	112.0468	0.598	90	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:4:3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:Si[5]-4:C[5a]-3:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]Si[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C[6a])	C[5,5a](C[5,5a]C[5,5a]S[5a])(Si[5]C[5,5a]C[6a]2)(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]Si[5])(S[5a]C[5a]){1|H<1>,5|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C[6a]){1|Si<4>,1|H<1>,1|S<2>,3|C<3>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(Si[5]C[5,5a]C[6a]2)(C[5a]C[5a]H){1|S<2>,6|C<3>}	112.3350	0.000	1	112.3350	0.000	1	112.1750	0.025	3	112.0468	0.598	90	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:4:3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:Si[5]-4:C[5a]-3:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]Si[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]S)	C[5,5a](C[5,5a]C[5,5a]S[5a])(Si[5]C[5,5a]C[6a]2)(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]Si[5])(S[5a]C[5a]){1|H<1>,1|S<2>,4|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]S){1|Si<4>,1|C<3>,1|H<1>,1|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(Si[5]C[5,5a]C[6a]2)(C[5a]C[5a]H){2|S<2>,5|C<3>}	112.1700	0.000	1	112.1700	0.000	1	112.1750	0.025	3	112.0468	0.598	90	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:4:3:	C[5,5a]-3:C[5,6]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:B[5]-4:C[5a]-3:	C[5,5a](C[5,5a]C[5a]B[5])(C[5,6]N[5,6]C[6])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]C[5,6])(C[5a]C[5a]2)	C[5,5a](C[5,5a]C[5,6]S[5a])(B[5]N[5,6]Br2)(C[5a]C[5a]2)	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>}	S[5a](C[5,5a]C[5,5a]C[5,6])(C[5a]C[5a]2){1|B<4>,1|N<3>,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>}	113.3240	0.000	1	113.3240	0.000	1	113.7895	0.433	2	112.0468	0.598	90	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:4:3:	C[5,5a]-3:C[5,6]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:B[5]-4:C[5a]-3:	C[5,5a](C[5,5a]C[5a]B[5])(C[5,6]N[5,6]C[6])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]C[5,6])(C[5a]C[5a]Si)	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[5,5a](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>}	S[5a](C[5,5a]C[5,5a]C[5,6])(C[5a]C[5a]Si){1|B<4>,1|C<3>,1|H<1>,1|N<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>}	114.2550	0.000	1	114.2550	0.000	1	113.7895	0.433	2	112.0468	0.598	90	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:4:3:	C[5,6a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]2)	C[5,5a](C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]CC)(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]){2|C<4>,2|H<1>,3|C<3>}	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]2){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[5,5a](C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]CC)(C[5a]C[5a]H){3|C<3>}	111.9370	0.000	1	111.9370	0.000	1	112.7770	0.650	10	112.0468	0.598	90	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:4:3:	C[5,6a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]2)	C[5,5a](C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]C[6a]2)(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]){2|H<1>,5|C<3>}	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]2){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[5,5a](C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]C[6a]2)(C[5a]C[5a]H){7|C<3>}	112.6370	0.000	1	112.6370	0.000	1	112.7770	0.650	10	112.0468	0.598	90	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:4:3:	C[5,6a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]C)	C[5,5a](C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]CC)(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]){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5,5a](C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]CC)(C[5a]C[5a]H){3|C<3>}	113.4475	0.293	2	113.5028	0.026	5	112.7770	0.650	10	112.0468	0.598	90	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:4:3:	C[5,6a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]C)	C[5,5a](C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]CC)(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]){2|C<4>,2|H<1>,3|C<3>}	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5,5a](C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]CC)(C[5a]C[5a]H){3|C<3>}	113.5397	0.059	3	113.5028	0.026	5	112.7770	0.650	10	112.0468	0.598	90	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:4:3:	C[5,6a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]CC)(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]){2|C<3>,2|C<4>,3|H<1>}	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5,5a](C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]CC)(C[5a]C[5a]H){1|H<1>,2|C<3>}	111.9700	0.120	2	111.9700	0.014	2	112.7770	0.650	10	112.0468	0.598	90	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:4:3:	C[5,6a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5,5a](C[5,6a]C[5,6a]N[6a])(C[5,5a]C[5a]C[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]C[6a]H)(C[5a]C[5a]H)	C[5,5a](C[5,6a]C[5,6a]N[6a])(C[5,5a]C[5a]C[5])(S[5a]C[5a]){1|C<4>,3|C<3>,3|H<1>}	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,5a](C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]C[6a]H)(C[5a]C[5a]H){1|H<1>,1|N<3>,3|C<3>}	111.7420	0.000	1	111.7420	0.000	1	112.7770	0.650	10	112.0468	0.598	90	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:4:3:	C[5,6a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:S[5]-4:C[5a]-3:	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]S[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]C)	C[5,5a](C[5,5a]C[5,6a]S[5a])(S[5]C[5,6a]OO)(C[5a]C[5a]H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]S[5])(S[5a]C[5a]){2|H<1>,2|O<1>,3|C<3>}	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]C){1|H<1>,1|S<4>,2|C<3>}	C[5,5a](C[5,5a]C[5,6a]S[5a])(S[5]C[5,6a]OO)(C[5a]C[5a]H){3|C<3>}	111.3290	0.000	1	111.3290	0.000	1	111.3290	0.000	1	112.0468	0.598	90	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	4:3:3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	Ga[5,5]-4:C[5,5a]-3:C[5a]-3:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]Ga[5,5]C[5a])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H)	C[5,5a](Ga[5,5]C[5,5a]C[5,6a]N[5])(C[5,5a]C[5,5a]S[5a])(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]Ga[5,5]C[5a])(S[5a]C[5a]){1|N<4>,2|H<1>,3|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H){1|Ga<4>,1|C<3>,1|H<1>,1|S<2>}	C[5,5a](Ga[5,5]C[5,5a]C[5,6a]N[5])(C[5,5a]C[5,5a]S[5a])(C[5a]C[5a]H){1|H<1>,1|S<2>,3|C<3>,3|C<4>}	112.8360	0.293	2	112.8360	0.086	2	112.8595	0.207	4	113.0193	0.597	7	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	4:3:3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	Ga[5,5]-4:C[5,5a]-3:C[5a]-3:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]Ga[5,5]C[5a])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]Si)	C[5,5a](Ga[5,5]C[5,5a]C[5,6a]N[5])(C[5,5a]C[5,5a]S[5a])(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]Ga[5,5]C[5a])(S[5a]C[5a]){1|Si<4>,1|H<1>,1|N<4>,3|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]Si){1|Ga<4>,1|C<3>,1|H<1>,1|S<2>}	C[5,5a](Ga[5,5]C[5,5a]C[5,6a]N[5])(C[5,5a]C[5,5a]S[5a])(C[5a]C[5a]H){1|Si<4>,1|S<2>,3|C<3>,3|C<4>}	112.8830	0.730	2	112.8830	0.533	2	112.8595	0.207	4	113.0193	0.597	7	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	4:3:3:	C[5,5a]-3:C[5,6a]-3:S[5a]-2:	C[5,5a]-3:C[5a,6a]-3:	C[5,5]-4:C[5a,6a]-3:C[5,5a]-3:	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(S[5a]C[5a,6a])	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5,5a](C[5,5]C[5,5a]C[5,6a]2)(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]S[5a])	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,6|C<3>}	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[5,5a](C[5,5]C[5,5a]C[5,6a]2)(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]S[5a]){1|H<1>,8|C<3>}	113.8400	0.714	2	113.8400	0.510	2	113.8400	0.510	2	113.0193	0.597	7	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	4:3:3:	C[5,6a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,6]-4:C[5,5a]-3:C[5a]-3:	C[5,5a](C[5,6a]C[5,6,6a]C[5a,6a])(C[5,5a]C[5,6]C[5a])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]H)	C[5,5a](C[5,6]C[5,6,6a]C[6,6a]C[6a])(C[5,5a]C[5,6a]S[5a])(C[5a]C[5a]H)	C[5,5a](C[5,6a]C[5,6,6a]C[5a,6a])(C[5,5a]C[5,6]C[5a])(S[5a]C[5a]){2|H<1>,5|C<3>}	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5,5a](C[5,6]C[5,6,6a]C[6,6a]C[6a])(C[5,5a]C[5,6a]S[5a])(C[5a]C[5a]H){1|H<1>,6|C<3>}	112.0170	0.000	1	112.0170	0.000	1	112.0170	0.000	1	113.0193	0.597	7	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	5:3:3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	P[5,5]-5:C[5,5a]-3:C[5a]-3:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]P[5,5]C[5a])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H)	C[5,5a](P[5,5]C[5,5a]C[6a]O[5]2)(C[5,5a]C[5,5a]S[5a])(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]P[5,5]C[5a])(S[5a]C[5a]){2|H<1>,2|O<2>,3|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|P<5>,1|S<2>}	C[5,5a](P[5,5]C[5,5a]C[6a]O[5]2)(C[5,5a]C[5,5a]S[5a])(C[5a]C[5a]H){1|H<1>,1|S<2>,5|C<3>}	112.6873	0.631	10	112.6873	0.398	10	112.6873	0.398	10	112.6873	0.398	10	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:4:2:	3:3:	3:2:2:	C[5,5a]-3:C[5]-4:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:S[5a]-2:S[5]-2:	C[5,5a](C[5,5a]S[5a]S[5])(C[5]C[5]HH)(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]O)	C[5,5a](C[5,5a]S[5a]C[5])(S[5a]C[5a])(S[5]C[5])	C[5,5a](C[5,5a]S[5a]S[5])(C[5]C[5]HH)(S[5a]C[5a]){1|O<1>,2|H<1>}	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]O){1|C<4>,1|S<2>,2|H<1>}	C[5,5a](C[5,5a]S[5a]C[5])(S[5a]C[5a])(S[5]C[5]){1|O<1>,4|H<1>}	117.1470	0.000	1	117.1470	0.000	1	117.1470	0.000	1	117.1470	0.000	1	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:4:2:	3:3:	3:3:2:	C[5,5a]-3:C[5]-4:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,6a]-3:C[5,5a]-3:N[5a]-2:	C[5,5a](C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]HH)(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]N[5a]N[5])	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]S[5a]C[5])(N[5a]C[5a])	C[5,5a](C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]HH)(S[5a]C[5a]){1|N<3>,2|C<3>}	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]N[5a]N[5]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]S[5a]C[5])(N[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	110.5220	0.000	1	110.5220	0.000	1	110.5220	0.000	1	110.5220	0.000	1	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:4:2:	3:3:	3:3:3:	C[5,5a]-3:C[5,6]-4:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:C[5a]-3:	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,6]N[5,5a]C[6]2)(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]C[5,6])(C[5a]C[5a]C[6a])	C[5,5a](C[5,5a]N[5,5a]N[5a])(C[5,5a]C[5,6]S[5a])(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,6]N[5,5a]C[6]2)(S[5a]C[5a]){1|N<2>,3|H<1>,4|C<3>}	S[5a](C[5,5a]C[5,5a]C[5,6])(C[5a]C[5a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	C[5,5a](C[5,5a]N[5,5a]N[5a])(C[5,5a]C[5,6]S[5a])(C[5a]C[5a]H){5|C<3>}	112.3790	0.000	1	112.3790	0.000	1	112.3790	0.000	1	111.9174	2.354	19	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:4:2:	3:3:	3:3:3:	C[5,5a]-3:C[5]-4:S[5a]-2:	C[5,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5,6a]-3:C[5,5a]-3:	C[5,5a](C[5,5a]C[5a,5a]C[5,6a])(C[5]C[5,6a]CC)(S[5a]C[5a,5a])	S[5a](C[5,5a]C[5,5a]C[5])(C[5a,5a]C[5a,5a]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])	C[5,5a](C[5,5a]C[5a,5a]C[5,6a])(C[5]C[5,6a]CC)(S[5a]C[5a,5a]){1|S<2>,3|C<3>}	S[5a](C[5,5a]C[5,5a]C[5])(C[5a,5a]C[5a,5a]2){2|C<4>,2|S<2>,3|C<3>}	C[5,5a](C[5a,5a]C[5a,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]S[5a]C[5]){1|H<1>,2|C<4>,4|C<3>}	113.6975	0.299	2	113.6975	0.089	2	113.6975	0.089	2	111.9174	2.354	19	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:4:2:	3:3:	3:3:3:	C[5,5a]-3:C[5]-4:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)	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]){1|C<3>,4|H<1>}	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	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>}	112.1620	0.000	1	112.1620	0.000	1	112.1620	0.000	1	111.9174	2.354	19	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:4:2:	3:3:	3:3:3:	C[5,5a]-3:C[5]-4:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]HS)(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)	C[5,5a](C[5,6a]C[6a,6a]C[5,6a])(C[5,5a]S[5a]C[5])(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]HS)(S[5a]C[5a]){2|C<3>,2|H<1>}	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]H){1|S<2>,2|C<3>,2|H<1>}	C[5,5a](C[5,6a]C[6a,6a]C[5,6a])(C[5,5a]S[5a]C[5])(C[5a]C[5a]H){1|S<2>,2|H<1>,3|C<3>}	112.6330	0.112	4	112.6330	0.013	4	112.6330	0.013	4	111.9174	2.354	19	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:4:2:	3:3:	3:3:3:	C[5,5a]-3:C[5]-4:S[5a]-2:	C[5a,6a]-3:C[5,5a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5,5a]-3:	C[5,5a](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5,5a]C[6a]2)(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])	C[5,5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5,5a]C[5a,6a]C[5,5a])(C[5,5a]S[5a]C[5])	C[5,5a](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5,5a]C[6a]2)(S[5a]C[5a,6a]){1|S<2>,7|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5]){1|H<1>,6|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5,5a]C[5a,6a]C[5,5a])(C[5,5a]S[5a]C[5]){1|S<2>,7|C<3>}	114.0080	0.000	1	114.0080	0.000	1	114.0080	0.000	1	111.9174	2.354	19	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:4:2:	3:3:	3:3:3:	C[5,5a]-3:P[5]-4:S[5a]-2:	C[5a,6a]-3:C[5,5a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5,5a]-3:	C[5,5a](C[5,5a]C[5a,6a]C[5,5a])(P[5]C[5,5a]C[6a]O)(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]P[5])	C[5,5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5,5a]C[5a,6a]C[5,5a])(C[5,5a]S[5a]P[5])	C[5,5a](C[5,5a]C[5a,6a]C[5,5a])(P[5]C[5,5a]C[6a]O)(S[5a]C[5a,6a]){1|S<2>,5|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]P[5]){1|H<1>,1|O<1>,5|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5,5a]C[5a,6a]C[5,5a])(C[5,5a]S[5a]P[5]){1|O<1>,1|S<2>,6|C<3>}	113.6850	0.198	2	113.6850	0.039	2	113.6850	0.039	2	111.9174	2.354	19	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:4:2:	3:3:	3:3:3:	C[5,5a]-3:Si[5]-4:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:C[5a]-3:	C[5,5a](C[5,5a]C[5,5a]C[5a])(Si[5]C[5,5a]CC)(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]Si[5])(C[5a]C[5a]Br)	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,5a]S[5a]Si[5])(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]C[5a])(Si[5]C[5,5a]CC)(S[5a]C[5a]){1|Br<1>,1|H<1>,2|C<3>}	S[5a](C[5,5a]C[5,5a]Si[5])(C[5a]C[5a]Br){1|H<1>,2|C<3>,2|C<4>}	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,5a]S[5a]Si[5])(C[5a]C[5a]H){2|Br<1>,1|C<3>,1|S<2>,2|C<4>}	110.0800	0.000	1	110.0800	0.000	1	110.3231	0.371	8	111.9174	2.354	19	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:4:2:	3:3:	3:3:3:	C[5,5a]-3:Si[5]-4:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:C[5a]-3:	C[5,5a](C[5,5a]C[5,5a]C[5a])(Si[5]C[5,5a]CC)(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]Si[5])(C[5a]C[5a]C)	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,5a]S[5a]Si[5])(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]C[5a])(Si[5]C[5,5a]CC)(S[5a]C[5a]){1|H<1>,3|C<3>}	S[5a](C[5,5a]C[5,5a]Si[5])(C[5a]C[5a]C){1|H<1>,2|C<3>,2|C<4>}	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,5a]S[5a]Si[5])(C[5a]C[5a]H){1|Si<4>,1|S<2>,2|C<3>,2|C<4>}	111.3750	0.000	1	111.3750	0.000	1	110.3231	0.371	8	111.9174	2.354	19	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:4:2:	3:3:	3:3:3:	C[5,5a]-3:Si[5]-4:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:C[5a]-3:	C[5,5a](C[5,5a]C[5,5a]C[5a])(Si[5]C[5,5a]CC)(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]Si[5])(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,5a]S[5a]Si[5])(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]C[5a])(Si[5]C[5,5a]CC)(S[5a]C[5a]){2|C<3>,2|H<1>}	S[5a](C[5,5a]C[5,5a]Si[5])(C[5a]C[5a]H){1|H<1>,2|C<3>,2|C<4>}	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,5a]S[5a]Si[5])(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>,2|C<4>}	110.6295	0.069	2	110.5763	0.011	3	110.3231	0.371	8	111.9174	2.354	19	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:4:2:	3:3:	3:3:3:	C[5,5a]-3:Si[5]-4:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:C[5a]-3:	C[5,5a](C[5,5a]C[5,5a]C[5a])(Si[5]C[5,5a]CC)(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]Si[5])(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,5a]S[5a]Si[5])(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]C[5a])(Si[5]C[5,5a]CC)(S[5a]C[5a]){2|C<3>,2|H<1>}	S[5a](C[5,5a]C[5,5a]Si[5])(C[5a]C[5a]H){1|H<1>,2|C<3>,2|C<4>}	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,5a]S[5a]Si[5])(C[5a]C[5a]H){1|Si<4>,1|C<3>,1|H<1>,1|S<2>,2|C<4>}	110.4700	0.000	1	110.5763	0.011	3	110.3231	0.371	8	111.9174	2.354	19	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:4:2:	3:3:	3:3:3:	C[5,5a]-3:Si[5]-4:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:C[5a]-3:	C[5,5a](C[5,5a]C[5,5a]C[5a])(Si[5]C[5,5a]CC)(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]Si[5])(C[5a]C[5a]Si)	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,5a]S[5a]Si[5])(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]C[5a])(Si[5]C[5,5a]CC)(S[5a]C[5a]){1|Si<4>,1|H<1>,2|C<3>}	S[5a](C[5,5a]C[5,5a]Si[5])(C[5a]C[5a]Si){1|H<1>,2|C<3>,2|C<4>}	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,5a]S[5a]Si[5])(C[5a]C[5a]H){1|Br<1>,1|Si<4>,1|C<3>,1|S<2>,2|C<4>}	109.9080	0.570	2	109.8003	0.197	3	110.3231	0.371	8	111.9174	2.354	19	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:4:2:	3:3:	3:3:3:	C[5,5a]-3:Si[5]-4:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:C[5a]-3:	C[5,5a](C[5,5a]C[5,5a]C[5a])(Si[5]C[5,5a]CC)(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]Si[5])(C[5a]C[5a]Si)	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,5a]S[5a]Si[5])(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]C[5a])(Si[5]C[5,5a]CC)(S[5a]C[5a]){1|Si<4>,1|H<1>,2|C<3>}	S[5a](C[5,5a]C[5,5a]Si[5])(C[5a]C[5a]Si){1|H<1>,2|C<3>,2|C<4>}	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,5a]S[5a]Si[5])(C[5a]C[5a]H){2|Si<4>,1|C<3>,1|S<2>,2|C<4>}	109.5850	0.000	1	109.8003	0.197	3	110.3231	0.371	8	111.9174	2.354	19	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:4:2:	3:3:	3:3:4:	C[5,5a]-3:C[5]-4:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]C[6a])	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]CC)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(S[5a]C[5a]){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]C[6a]){2|C<3>,2|C<4>,3|H<1>}	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,3|H<1>}	112.0480	0.000	1	112.0480	0.000	1	112.4528	0.254	6	112.4528	0.254	6	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:4:2:	3:3:	3:3:4:	C[5,5a]-3:C[5]-4:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HN)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(S[5a]C[5a]){1|N<3>,5|H<1>}	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]H){2|C<4>,3|H<1>}	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HN){5|H<1>}	112.0250	0.000	1	112.0250	0.000	1	112.4528	0.254	6	112.4528	0.254	6	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:4:2:	3:3:	3:3:4:	C[5,5a]-3:C[5]-4:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]N)	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]HH)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(S[5a]C[5a]){1|C<3>,1|N<3>,4|H<1>}	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]N){1|C<3>,2|C<4>,2|H<1>}	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]HH){1|N<3>,4|H<1>}	112.7873	0.529	3	112.7873	0.280	3	112.4528	0.254	6	112.4528	0.254	6	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:4:2:	3:3:	3:3:4:	C[5,5a]-3:C[5]-4:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a](C[5,5a]C[5a]C[5])(C[5]N[5]CC)(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]C)	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]N[5]CC)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]N[5]CC)(S[5a]C[5a]){1|H<1>,1|O<1>,3|C<4>}	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]C){1|H<1>,1|N<3>,3|C<4>}	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]N[5]CC){1|O<1>,3|C<4>}	112.2820	0.000	1	112.2820	0.000	1	112.4528	0.254	6	112.4528	0.254	6	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	3:4:2:	3:3:	3:4:3:	C[5,5a]-3:C[5]-4:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)	C[5,5a](C[5,5a]S[5a]C[5])(C[5]C[6a]C[5]H)(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(S[5a]C[5a]){1|C<3>,1|S<4>,4|H<1>}	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]H){2|C<4>,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|S<4>,2|C<3>,4|H<1>}	112.1020	0.000	1	112.1020	0.000	1	112.1020	0.000	1	112.1020	0.000	1	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5,5a]	S[5a]	C[5,5a]	4:3:2:	3:3:	3:4:3:	C[5,6]-4:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5,5a](C[5,6]C[5,6]N[6]H)(C[5,5a]C[5a]C[5])(S[5a]C[5a])	S[5a](C[5,5a]C[5,5a]C[5,6])(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,6]S[5a])(C[5]C[5,6]HH)(C[5a]C[5a]H)	C[5,5a](C[5,6]C[5,6]N[6]H)(C[5,5a]C[5a]C[5])(S[5a]C[5a]){1|C<4>,3|C<3>,4|H<1>}	S[5a](C[5,5a]C[5,5a]C[5,6])(C[5a]C[5a]H){1|N<3>,2|C<4>,2|H<1>}	C[5,5a](C[5,5a]C[5,6]S[5a])(C[5]C[5,6]HH)(C[5a]C[5a]H){1|N<3>,2|C<3>,2|H<1>}	112.0310	0.000	1	112.0310	0.000	1	112.0310	0.000	1	112.0310	0.000	1	114.3688	15.847	465	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:3:	C[5,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5,5a]-3:	C[5a,5a]-3:C[5,6a]-3:C[5,5a]-3:	C[5a,5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,5a]C[5,5a]S[5a])(S[5a]C[5,5a])	S[5a](C[5a,5a]C[5a,5a]C[5,5a])(C[5,5a]C[5,5a]C[5])	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[5a,5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,5a]C[5,5a]S[5a])(S[5a]C[5,5a]){5|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5,5a])(C[5,5a]C[5,5a]C[5]){1|S<2>,5|C<3>}	C[5,5a](C[5a,5a]C[5a,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]S[5a]C[5]){1|H<1>,5|C<3>}	135.7450	0.000	1	135.7450	0.000	1	135.7450	0.000	1	135.7450	0.000	1	135.7450	0.000	1	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:2:2:	C[5a,5a]-3:N[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:N[5a]-2:S[5a]-2:	C[5a,5a](C[5a,5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]N[5a])	C[5a,5a](C[5a,5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a])	C[5a,5a](C[5a,5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a]){2|C<3>}	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]N[5a]){1|C<3>,1|N<2>,2|S<2>}	C[5a,5a](C[5a,5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a]){2|C<3>}	109.4270	0.175	3	109.4421	0.076	9	109.1948	0.247	24	110.8621	12.418	32	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:2:2:	C[5a,5a]-3:N[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:N[5a]-2:S[5a]-2:	C[5a,5a](C[5a,5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]N[5a])	C[5a,5a](C[5a,5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a])	C[5a,5a](C[5a,5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a]){2|C<3>}	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]N[5a]){2|C<3>,2|S<2>}	C[5a,5a](C[5a,5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a]){2|C<3>}	109.4497	0.330	6	109.4421	0.076	9	109.1948	0.247	24	110.8621	12.418	32	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:2:2:	C[5a,5a]-3:N[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:N[5a]-2:S[5a]-2:	C[5a,5a](C[5a,5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a])	C[5a,5a](C[5a,5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a])	C[5a,5a](C[5a,5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a]){2|C<3>}	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a]){1|N<2>,1|S<2>,2|C<3>}	C[5a,5a](C[5a,5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a]){2|C<3>}	109.3070	0.000	1	109.1382	0.187	14	109.1948	0.247	24	110.8621	12.418	32	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:2:2:	C[5a,5a]-3:N[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:N[5a]-2:S[5a]-2:	C[5a,5a](C[5a,5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a])	C[5a,5a](C[5a,5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a])	C[5a,5a](C[5a,5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a]){2|C<3>}	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a]){1|S<2>,3|C<3>}	C[5a,5a](C[5a,5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a]){2|C<3>}	109.1252	0.447	13	109.1382	0.187	14	109.1948	0.247	24	110.8621	12.418	32	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:2:2:	C[5a,5a]-3:N[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:N[5a]-2:S[5a]-2:	C[5a,5a](C[5a,5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]N[5a]C[6])	C[5a,5a](C[5a,5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a])	C[5a,5a](C[5a,5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a]){2|C<3>}	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]N[5a]C[6]){1|S<2>,3|C<3>}	C[5a,5a](C[5a,5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a]){2|C<3>}	107.7620	0.000	1	107.7620	0.000	1	109.1948	0.247	24	110.8621	12.418	32	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:2:2:	C[5a,5a]-3:N[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a](C[5a,5a]S[5a]2)(N[5a]C[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]O)	C[5a,5a](C[5a,5a]N[5a]S[5a])(S[5a]C[5a])2	C[5a,5a](C[5a,5a]S[5a]2)(N[5a]C[5a])(S[5a]C[5a]){1|H<1>,1|O<1>}	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]O){1|C<3>,1|S<2>}	C[5a,5a](C[5a,5a]N[5a]S[5a])(S[5a]C[5a])2{1|H<1>,1|O<1>}	117.4360	0.000	1	117.1070	0.216	2	117.1070	0.216	2	110.8621	12.418	32	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:2:2:	C[5a,5a]-3:N[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a](C[5a,5a]S[5a]2)(N[5a]C[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]O)	C[5a,5a](C[5a,5a]N[5a]S[5a])(S[5a]C[5a])2	C[5a,5a](C[5a,5a]S[5a]2)(N[5a]C[5a])(S[5a]C[5a]){1|I<1>,1|O<1>}	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]O){1|C<3>,1|S<2>}	C[5a,5a](C[5a,5a]N[5a]S[5a])(S[5a]C[5a])2{1|I<1>,1|O<1>}	116.7780	0.000	1	117.1070	0.216	2	117.1070	0.216	2	110.8621	12.418	32	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:2:2:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:N[5a]-2:S[5a]-2:	C[5a,5a](C[5a,5a]N[5a]S[5a])(S[5a]C[5a])2	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]N[5a]H)	C[5a,5a](C[5a,5a]S[5a]2)(N[5a]C[5a])(S[5a]C[5a])	C[5a,5a](C[5a,5a]N[5a]S[5a])(S[5a]C[5a])2{1|H<1>,1|O<1>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]N[5a]H){1|C<3>,1|S<2>}	C[5a,5a](C[5a,5a]S[5a]2)(N[5a]C[5a])(S[5a]C[5a]){1|H<1>,1|O<1>}	109.7540	0.000	1	109.7540	0.000	1	114.0885	28.610	4	110.8621	12.418	32	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:2:2:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:N[5a]-2:S[5a]-2:	C[5a,5a](C[5a,5a]N[5a]S[5a])(S[5a]C[5a])2	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]N[5a]I)	C[5a,5a](C[5a,5a]S[5a]2)(N[5a]C[5a])(S[5a]C[5a])	C[5a,5a](C[5a,5a]N[5a]S[5a])(S[5a]C[5a])2{1|I<1>,1|O<1>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]N[5a]I){1|C<3>,1|S<2>}	C[5a,5a](C[5a,5a]S[5a]2)(N[5a]C[5a])(S[5a]C[5a]){1|I<1>,1|O<1>}	109.1680	0.000	1	109.1680	0.000	1	114.0885	28.610	4	110.8621	12.418	32	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:2:2:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:N[5a]-2:S[5a]-2:	C[5a,5a](C[5a,5a]N[5a]S[5a])(S[5a]C[5a])2	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]O)	C[5a,5a](C[5a,5a]S[5a]2)(N[5a]C[5a])(S[5a]C[5a])	C[5a,5a](C[5a,5a]N[5a]S[5a])(S[5a]C[5a])2{1|H<1>,1|O<1>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]O){1|C<3>,1|N<2>}	C[5a,5a](C[5a,5a]S[5a]2)(N[5a]C[5a])(S[5a]C[5a]){1|H<1>,1|O<1>}	118.6690	0.000	1	118.7160	0.004	2	114.0885	28.610	4	110.8621	12.418	32	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:2:2:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:N[5a]-2:S[5a]-2:	C[5a,5a](C[5a,5a]N[5a]S[5a])(S[5a]C[5a])2	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]O)	C[5a,5a](C[5a,5a]S[5a]2)(N[5a]C[5a])(S[5a]C[5a])	C[5a,5a](C[5a,5a]N[5a]S[5a])(S[5a]C[5a])2{1|I<1>,1|O<1>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]O){1|C<3>,1|N<2>}	C[5a,5a](C[5a,5a]S[5a]2)(N[5a]C[5a])(S[5a]C[5a]){1|I<1>,1|O<1>}	118.7630	0.000	1	118.7160	0.004	2	114.0885	28.610	4	110.8621	12.418	32	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:2:2:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a](C[5a,5a]S[5a]2)(S[5a]C[5a])2	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]O)	C[5a,5a](C[5a,5a]S[5a]2)(S[5a]C[5a])2	C[5a,5a](C[5a,5a]S[5a]2)(S[5a]C[5a])2{2|O<1>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]O){1|C<3>,1|S<2>}	C[5a,5a](C[5a,5a]S[5a]2)(S[5a]C[5a])2{2|O<1>}	118.1715	0.176	2	118.1715	0.031	2	118.1715	0.031	2	110.8621	12.418	32	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:2:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-2:	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(S[5a]C[5a,6a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]S[5a]2)(N[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(S[5a]C[5a,6a])(S[5a]C[5a]){3|C<3>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]S[5a]2)(N[5a]C[5a]){1|H<1>,3|C<3>}	114.3930	0.004	2	114.3930	0.000	2	114.3930	0.000	2	114.2455	12.093	10	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:2:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a]S[5a])(S[5a]C[5a])2	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]Br)	C[5a,5a](C[5a,5a]S[5a]2)(C[5a]C[5a]H)(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a]S[5a])(S[5a]C[5a])2{1|Br<1>,1|H<1>,1|O<1>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]Br){1|C<3>,1|H<1>,1|S<2>}	C[5a,5a](C[5a,5a]S[5a]2)(C[5a]C[5a]H)(S[5a]C[5a]){1|Br<1>,1|O<1>}	111.9620	0.000	1	111.9620	0.000	1	115.6763	17.953	4	114.2455	12.093	10	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:2:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a]S[5a])(S[5a]C[5a])2	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]C)	C[5a,5a](C[5a,5a]S[5a]2)(C[5a]C[5a]C)(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a]S[5a])(S[5a]C[5a])2{1|O<1>,2|C<4>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|S<2>}	C[5a,5a](C[5a,5a]S[5a]2)(C[5a]C[5a]C)(S[5a]C[5a]){1|C<4>,1|O<1>}	112.0520	0.000	1	112.0520	0.000	1	115.6763	17.953	4	114.2455	12.093	10	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:2:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a]S[5a])(S[5a]C[5a])2	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]O)	C[5a,5a](C[5a,5a]S[5a]2)(C[5a]C[5a]C)(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a]S[5a])(S[5a]C[5a])2{1|O<1>,2|C<4>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]O){2|C<3>}	C[5a,5a](C[5a,5a]S[5a]2)(C[5a]C[5a]C)(S[5a]C[5a]){1|C<4>,1|O<1>}	119.3720	0.000	1	119.3720	0.000	1	115.6763	17.953	4	114.2455	12.093	10	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:2:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a]S[5a])(S[5a]C[5a])2	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]O)	C[5a,5a](C[5a,5a]S[5a]2)(C[5a]C[5a]H)(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a]S[5a])(S[5a]C[5a])2{1|Br<1>,1|H<1>,1|O<1>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]O){2|C<3>}	C[5a,5a](C[5a,5a]S[5a]2)(C[5a]C[5a]H)(S[5a]C[5a]){1|Br<1>,1|O<1>}	119.3190	0.000	1	119.3190	0.000	1	115.6763	17.953	4	114.2455	12.093	10	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:2:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:N[5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]N[5a]S[5a])(S[5a]C[5a])2	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]N[5a]O)	C[5a,5a](C[5a,5a]S[5a]2)(N[5a]C[5a]C)(S[5a]C[5a])	C[5a,5a](C[5a,5a]N[5a]S[5a])(S[5a]C[5a])2{1|C<4>,2|O<1>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]N[5a]O){1|C<3>,1|C<4>,1|S<2>}	C[5a,5a](C[5a,5a]S[5a]2)(N[5a]C[5a]C)(S[5a]C[5a]){2|O<1>}	111.3570	0.000	1	111.3570	0.000	1	114.6990	22.338	2	114.2455	12.093	10	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:2:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:N[5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]N[5a]S[5a])(S[5a]C[5a])2	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]O)	C[5a,5a](C[5a,5a]S[5a]2)(N[5a]C[5a]C)(S[5a]C[5a])	C[5a,5a](C[5a,5a]N[5a]S[5a])(S[5a]C[5a])2{1|C<4>,2|O<1>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]O){1|C<3>,1|N<3>}	C[5a,5a](C[5a,5a]S[5a]2)(N[5a]C[5a]C)(S[5a]C[5a]){2|O<1>}	118.0410	0.000	1	118.0410	0.000	1	114.6990	22.338	2	114.2455	12.093	10	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:2:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-2:	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(S[5a]C[5a,6a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[6a]N[5a])	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]S[5a]2)(N[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(S[5a]C[5a,6a])(S[5a]C[5a]){3|C<3>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[6a]N[5a]){4|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]S[5a]2)(N[5a]C[5a]){1|H<1>,3|C<3>}	110.6920	0.000	1	110.6920	0.000	1	110.7830	0.017	2	114.2455	12.093	10	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:2:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-2:	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(S[5a]C[5a,6a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]N[5a]C)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]S[5a]2)(N[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(S[5a]C[5a,6a])(S[5a]C[5a]){3|C<3>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]N[5a]C){2|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]S[5a]2)(N[5a]C[5a]){1|H<1>,3|C<3>}	110.8740	0.000	1	110.8740	0.000	1	110.7830	0.017	2	114.2455	12.093	10	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:3:	C[5a,5a]-3:N[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a]2)(N[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]C)	C[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[6a]S[5a])(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a]2)(N[5a]S[5a])(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]C){1|C<3>,1|H<1>,1|S<2>}	C[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[6a]S[5a])(C[5a]C[5a]H){1|C<4>,2|C<3>}	111.8730	0.000	1	111.8730	0.000	1	111.8730	0.000	1	114.2907	1.585	315	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:3:	C[5a,5a]-3:N[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-3:	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]Br)	C[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a]){1|Br<1>,3|H<1>}	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]Br){1|C<3>,1|H<1>,1|N<3>}	C[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|Br<1>,1|H<1>}	111.6750	0.000	1	111.6750	0.000	1	111.6750	0.000	1	114.2907	1.585	315	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5,5a]-3:	C[5,5a]-3:C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]C[5,5a])(S[5a]C[5a,5a])(S[5a]C[5,5a])	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5,5a]C[5,5a]S[5])	C[5a,5a](C[5,5a]C[5,5a]C[5])(C[5a,5a]C[5a,5a]2)(C[5a,5a]S[5a]2)	C[5a,5a](C[5a,5a]C[5a,5a]C[5,5a])(S[5a]C[5a,5a])(S[5a]C[5,5a]){1|C<2>,1|C<3>,2|S<2>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5,5a]C[5,5a]S[5]){1|C<2>,3|C<3>}	C[5a,5a](C[5,5a]C[5,5a]C[5])(C[5a,5a]C[5a,5a]2)(C[5a,5a]S[5a]2){2|S<2>,3|C<3>}	114.4742	0.706	4	114.4742	0.498	4	114.4742	0.498	4	114.2907	1.585	315	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5,5a]-3:C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]C[5,5a])(S[5a]C[5a,5a])(S[5a]C[5,5a])	S[5a](C[5a,5a]C[5a,5a]S[5a])2	C[5a,5a](C[5,5a]C[5,5a]C[5])(C[5a,5a]C[5a,5a]2)(C[5a,5a]S[5a]2)	C[5a,5a](C[5a,5a]C[5a,5a]C[5,5a])(S[5a]C[5a,5a])(S[5a]C[5,5a]){1|C<2>,1|C<3>,2|S<2>}	S[5a](C[5a,5a]C[5a,5a]S[5a])2{4|C<3>}	C[5a,5a](C[5,5a]C[5,5a]C[5])(C[5a,5a]C[5a,5a]2)(C[5a,5a]S[5a]2){2|S<2>,3|C<3>}	114.9820	0.672	4	114.9820	0.451	4	114.9820	0.451	4	114.2907	1.585	315	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]2)(S[5a]C[5a,5a])2	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]S[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,5a]2)(C[5a,5a]S[5a]2)	C[5a,5a](C[5a,5a]C[5a,5a]2)(S[5a]C[5a,5a])2{2|C<3>,2|S<2>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]S[5a]){1|H<1>,1|S<2>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,5a]2)(C[5a,5a]S[5a]2){1|S<2>,4|C<3>}	116.0865	0.125	2	116.0865	0.016	2	115.5217	0.787	47	114.2907	1.585	315	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]2)(S[5a]C[5a,5a])2	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,5a]S[5a])	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2)(C[5a,5a]S[5a]2)	C[5a,5a](C[5a,5a]C[5a,5a]2)(S[5a]C[5a,5a])2{1|N<3>,1|S<2>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,5a]S[5a]){1|H<1>,4|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2)(C[5a,5a]S[5a]2){1|Br<1>,1|N<3>,1|S<2>,3|C<3>}	115.4690	0.000	1	115.4690	0.000	1	115.5217	0.787	47	114.2907	1.585	315	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]2)(S[5a]C[5a,5a])2	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,5a]2)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,5a]2)(C[5a,5a]S[5a]2)	C[5a,5a](C[5a,5a]C[5a,5a]2)(S[5a]C[5a,5a])2{2|C<3>,2|S<2>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,5a]2){1|S<2>,4|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,5a]2)(C[5a,5a]S[5a]2){2|S<2>,3|C<3>}	115.3885	0.538	2	115.3885	0.290	2	115.5217	0.787	47	114.2907	1.585	315	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]2)(S[5a]C[5a,5a])2	S[5a](C[5a,5a]C[5a,5a]S[5a])2	C[5a,5a](C[5a,5a]C[5a,5a]2)2(C[5a,5a]S[5a]2)	C[5a,5a](C[5a,5a]C[5a,5a]2)(S[5a]C[5a,5a])2{2|C<3>,2|S<2>}	S[5a](C[5a,5a]C[5a,5a]S[5a])2{4|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]2)2(C[5a,5a]S[5a]2){2|S<2>,4|C<3>}	115.4774	1.012	16	115.6646	0.966	20	115.5217	0.787	47	114.2907	1.585	315	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]2)(S[5a]C[5a,5a])2	S[5a](C[5a,5a]C[5a,5a]S[5a])2	C[5a,5a](C[5a,5a]C[5a,5a]2)2(C[5a,5a]S[5a]2)	C[5a,5a](C[5a,5a]C[5a,5a]2)(S[5a]C[5a,5a])2{2|C<3>,2|S<2>}	S[5a](C[5a,5a]C[5a,5a]S[5a])2{4|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]2)2(C[5a,5a]S[5a]2){3|C<3>,3|S<2>}	116.4133	0.262	4	115.6646	0.966	20	115.5217	0.787	47	114.2907	1.585	315	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]2)(S[5a]C[5a,5a])2	S[5a](C[5a,5a]C[5a,5a]S[5a])2	C[5a,5a](C[5a,5a]C[5a,5a]C[5,5a])(C[5a,5a]C[5a,5a]2)(C[5a,5a]S[5a]2)	C[5a,5a](C[5a,5a]C[5a,5a]2)(S[5a]C[5a,5a])2{2|C<3>,2|S<2>}	S[5a](C[5a,5a]C[5a,5a]S[5a])2{4|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]C[5,5a])(C[5a,5a]C[5a,5a]2)(C[5a,5a]S[5a]2){1|C<2>,2|S<2>,3|C<3>}	115.3809	1.062	8	115.3809	1.128	8	115.5217	0.787	47	114.2907	1.585	315	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]2)(S[5a]C[5a,5a])2	S[5a](C[5a,5a]C[5a,5a]S[5a])2	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2)(C[5a,5a]S[5a]2)	C[5a,5a](C[5a,5a]C[5a,5a]2)(S[5a]C[5a,5a])2{1|N<3>,1|S<2>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]S[5a])2{4|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2)(C[5a,5a]S[5a]2){1|Br<1>,1|N<3>,1|S<2>,3|C<3>}	115.8240	0.000	1	115.5143	0.626	9	115.5217	0.787	47	114.2907	1.585	315	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]2)(S[5a]C[5a,5a])2	S[5a](C[5a,5a]C[5a,5a]S[5a])2	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2)(C[5a,5a]S[5a]2)	C[5a,5a](C[5a,5a]C[5a,5a]2)(S[5a]C[5a,5a])2{2|C<3>,2|S<2>}	S[5a](C[5a,5a]C[5a,5a]S[5a])2{4|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2)(C[5a,5a]S[5a]2){1|Br<1>,2|S<2>,3|C<3>}	116.1855	0.348	4	115.5143	0.626	9	115.5217	0.787	47	114.2907	1.585	315	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]2)(S[5a]C[5a,5a])2	S[5a](C[5a,5a]C[5a,5a]S[5a])2	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2)(C[5a,5a]S[5a]2)	C[5a,5a](C[5a,5a]C[5a,5a]2)(S[5a]C[5a,5a])2{2|C<3>,2|S<2>}	S[5a](C[5a,5a]C[5a,5a]S[5a])2{4|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2)(C[5a,5a]S[5a]2){1|H<1>,2|S<2>,3|C<3>}	114.7657	0.410	4	115.5143	0.626	9	115.5217	0.787	47	114.2907	1.585	315	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]2)(S[5a]C[5a,5a])2	S[5a](C[5a,5a]C[5a,5a]S[5a])2	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])2(C[5a,5a]S[5a]2)	C[5a,5a](C[5a,5a]C[5a,5a]2)(S[5a]C[5a,5a])2{2|C<3>,2|S<2>}	S[5a](C[5a,5a]C[5a,5a]S[5a])2{4|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])2(C[5a,5a]S[5a]2){2|C<3>,2|H<1>,2|S<2>}	114.3900	0.000	1	114.3900	0.000	1	115.5217	0.787	47	114.2907	1.585	315	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]2)(S[5a]C[5a,5a])2	S[5a](C[5a,5a]C[5a,5a]S[5a])2	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,5a]2)(C[5a,5a]S[5a]2)	C[5a,5a](C[5a,5a]C[5a,5a]2)(S[5a]C[5a,5a])2{2|C<3>,2|S<2>}	S[5a](C[5a,5a]C[5a,5a]S[5a])2{4|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,5a]2)(C[5a,5a]S[5a]2){1|S<2>,4|C<3>}	115.8150	0.238	2	115.1863	0.557	4	115.5217	0.787	47	114.2907	1.585	315	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]2)(S[5a]C[5a,5a])2	S[5a](C[5a,5a]C[5a,5a]S[5a])2	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,5a]2)(C[5a,5a]S[5a]2)	C[5a,5a](C[5a,5a]C[5a,5a]2)(S[5a]C[5a,5a])2{2|C<3>,2|S<2>}	S[5a](C[5a,5a]C[5a,5a]S[5a])2{4|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,5a]2)(C[5a,5a]S[5a]2){2|S<2>,3|C<3>}	114.5575	0.186	2	115.1863	0.557	4	115.5217	0.787	47	114.2907	1.585	315	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,5a]S[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]S[5a]2)(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a]){1|Si<4>,1|C<3>,1|H<1>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,5a]S[5a]){1|S<2>,4|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]S[5a]2)(C[5a]C[5a]H){1|Si<4>,2|C<3>}	114.3825	0.624	2	114.3825	0.390	2	114.6876	0.442	76	114.2907	1.585	315	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]S[5a])	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]S[5a]2)(C[5a]C[5a]Br)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a]){1|Br<1>,1|H<1>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]S[5a]){1|H<1>,1|S<2>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]S[5a]2)(C[5a]C[5a]Br){1|C<3>,1|S<2>,2|H<1>}	116.0120	0.000	1	116.0120	0.000	1	114.6876	0.442	76	114.2907	1.585	315	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]S[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]S[5a]2)(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a]){1|Br<1>,1|C<3>,1|H<1>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]S[5a]){1|H<1>,1|S<2>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]S[5a]2)(C[5a]C[5a]H){1|Br<1>,2|C<3>}	114.6400	0.000	1	115.1650	0.551	2	114.6876	0.442	76	114.2907	1.585	315	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]S[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]S[5a]2)(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a]){1|Si<4>,1|C<3>,1|H<1>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]S[5a]){1|Br<1>,1|S<2>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]S[5a]2)(C[5a]C[5a]H){1|Si<4>,2|C<3>}	115.6900	0.000	1	115.1650	0.551	2	114.6876	0.442	76	114.2907	1.585	315	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,5a]2)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]S[5a]2)(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a]){1|Si<4>,1|C<3>,1|H<1>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,5a]2){1|S<2>,4|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]S[5a]2)(C[5a]C[5a]H){1|Si<4>,2|C<3>}	114.6010	0.376	2	114.6010	0.142	2	114.6876	0.442	76	114.2907	1.585	315	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]S[5a])2	C[5a,5a](C[5a,5a]C[5a,5a]2)(C[5a,5a]S[5a]2)(C[5a]C[5a]Br)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a]){1|Br<1>,1|Si<4>,1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]S[5a])2{4|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]2)(C[5a,5a]S[5a]2)(C[5a]C[5a]Br){1|Si<4>,1|S<2>,2|C<3>}	114.5690	0.286	3	114.5690	0.082	3	114.6876	0.442	76	114.2907	1.585	315	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]S[5a])2	C[5a,5a](C[5a,5a]C[5a,5a]2)(C[5a,5a]S[5a]2)(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a]){1|C<3>,1|S<2>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]S[5a])2{4|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]2)(C[5a,5a]S[5a]2)(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	114.2530	0.000	1	114.4483	0.029	3	114.6876	0.442	76	114.2907	1.585	315	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]S[5a])2	C[5a,5a](C[5a,5a]C[5a,5a]2)(C[5a,5a]S[5a]2)(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a]){1|Si<4>,1|C<3>,1|H<1>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]S[5a])2{4|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]2)(C[5a,5a]S[5a]2)(C[5a]C[5a]H){1|Si<4>,1|S<2>,2|C<3>}	114.5460	0.033	2	114.4483	0.029	3	114.6876	0.442	76	114.2907	1.585	315	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]S[5a])2	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6])(C[5a,5a]S[5a]2)(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a]){1|Si<4>,1|C<3>,1|H<1>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]S[5a])2{4|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6])(C[5a,5a]S[5a]2)(C[5a]C[5a]H){1|Si<4>,1|C<3>,2|S<2>}	115.4190	0.000	1	115.4190	0.000	1	114.6876	0.442	76	114.2907	1.585	315	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]S[5a])2	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]S[5a]2)(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a]){1|Si<4>,1|C<3>,1|H<1>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]S[5a])2{4|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]S[5a]2)(C[5a]C[5a]H){1|Si<4>,1|S<2>,2|C<3>}	114.3376	0.762	26	114.3376	0.581	26	114.6876	0.442	76	114.2907	1.585	315	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]S[5a])2	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]S[5a]2)(C[5a]C[5a]2)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a]){1|H<1>,1|S<2>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]S[5a])2{4|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]S[5a]2)(C[5a]C[5a]2){1|S<2>,2|H<1>,3|C<3>}	115.3450	0.389	2	114.8673	0.294	12	114.6876	0.442	76	114.2907	1.585	315	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]S[5a])2	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]S[5a]2)(C[5a]C[5a]2)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a]){1|S<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]S[5a])2{4|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]S[5a]2)(C[5a]C[5a]2){1|H<1>,1|S<2>,4|C<3>}	114.5800	0.387	8	114.8673	0.294	12	114.6876	0.442	76	114.2907	1.585	315	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]S[5a])2	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]S[5a]2)(C[5a]C[5a]2)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a]){2|C<3>,2|S<2>}	S[5a](C[5a,5a]C[5a,5a]S[5a])2{4|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]S[5a]2)(C[5a]C[5a]2){1|Br<1>,2|S<2>,3|C<3>}	115.5390	0.137	2	114.8673	0.294	12	114.6876	0.442	76	114.2907	1.585	315	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]S[5a])2	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]S[5a]2)(C[5a]C[5a]Br)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a]){1|Br<1>,1|C<3>,1|H<1>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]S[5a])2{4|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]S[5a]2)(C[5a]C[5a]Br){1|C<3>,1|S<2>,2|H<1>}	114.9520	0.000	1	115.3597	0.239	3	114.6876	0.442	76	114.2907	1.585	315	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]S[5a])2	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]S[5a]2)(C[5a]C[5a]Br)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a]){1|Br<1>,1|Si<4>,1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]S[5a])2{4|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]S[5a]2)(C[5a]C[5a]Br){1|Si<4>,1|S<2>,2|C<3>}	115.5635	0.479	2	115.3597	0.239	3	114.6876	0.442	76	114.2907	1.585	315	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]S[5a])2	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]S[5a]2)(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a]){1|H<1>,1|S<2>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]S[5a])2{4|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]S[5a]2)(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	114.9980	0.407	6	114.9001	0.225	19	114.6876	0.442	76	114.2907	1.585	315	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]S[5a])2	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]S[5a]2)(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a]){1|Si<4>,1|C<3>,1|H<1>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]S[5a])2{4|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]S[5a]2)(C[5a]C[5a]H){1|Br<1>,1|Si<4>,1|C<3>,1|S<2>}	114.8250	0.000	1	114.9001	0.225	19	114.6876	0.442	76	114.2907	1.585	315	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]S[5a])2	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]S[5a]2)(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a]){1|Si<4>,1|C<3>,1|H<1>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]S[5a])2{4|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]S[5a]2)(C[5a]C[5a]H){1|Si<4>,1|C<3>,2|S<2>}	114.4945	0.090	2	114.9001	0.225	19	114.6876	0.442	76	114.2907	1.585	315	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]S[5a])2	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]S[5a]2)(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a]){1|Si<4>,1|C<3>,1|H<1>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]S[5a])2{4|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]S[5a]2)(C[5a]C[5a]H){1|Si<4>,1|S<2>,2|C<3>}	114.9299	0.560	10	114.9001	0.225	19	114.6876	0.442	76	114.2907	1.585	315	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]S[5a])2	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]S[5a]2)(C[5a]C[5a]S)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a]){1|C<3>,1|H<1>,2|S<2>}	S[5a](C[5a,5a]C[5a,5a]S[5a])2{4|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]S[5a]2)(C[5a]C[5a]S){1|C<3>,1|S<2>,2|H<1>}	114.5580	0.764	2	114.5580	0.583	2	114.6876	0.442	76	114.2907	1.585	315	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,6]-3:C[5a,5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6])(S[5a]C[5a,5a])(S[5a]C[5a,6])	S[5a](C[5a,5a]C[5a,5a]S[5a])2	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a,6]S[6])(C[5a,5a]S[5a]2)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6])(S[5a]C[5a,5a])(S[5a]C[5a,6]){1|Si<4>,1|C<3>,2|S<2>}	S[5a](C[5a,5a]C[5a,5a]S[5a])2{4|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a,6]S[6])(C[5a,5a]S[5a]2){1|Si<4>,1|H<1>,1|S<2>,2|C<3>}	115.3690	0.000	1	115.3690	0.000	1	115.3690	0.000	1	114.2907	1.585	315	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[5a,5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6a])(S[5a]C[5a,5a])(S[5a]C[5a,6a])	S[5a](C[5a,5a]C[5a,5a]S[5a])2	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]S[5a]2)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6a])(S[5a]C[5a,5a])(S[5a]C[5a,6a]){1|S<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]S[5a])2{4|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]S[5a]2){1|H<1>,1|S<2>,4|C<3>}	114.9938	0.199	4	114.9938	0.040	4	115.6080	0.586	30	114.2907	1.585	315	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[5a,5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6a])(S[5a]C[5a,5a])(S[5a]C[5a,6a])	S[5a](C[5a,5a]C[5a,5a]S[5a])2	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)(C[5a,5a]S[5a]2)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6a])(S[5a]C[5a,5a])(S[5a]C[5a,6a]){1|S<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]S[5a])2{4|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)(C[5a,5a]S[5a]2){1|H<1>,1|S<2>,4|C<3>}	115.7025	0.778	26	115.7025	0.606	26	115.6080	0.586	30	114.2907	1.585	315	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a,6]-3:	C[5a,5a]-3:C[5a,6]-3:C[5a,5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6])(S[5a]C[5a,5a])(S[5a]C[5a,6])	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6]C[5a,6]Si[6,6])	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a,6]S[6])(C[5a,5a]S[5a]2)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6])(S[5a]C[5a,5a])(S[5a]C[5a,6]){1|Si<4>,1|C<3>,2|S<2>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6]C[5a,6]Si[6,6]){1|S<2>,5|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a,6]S[6])(C[5a,5a]S[5a]2){1|Si<4>,1|H<1>,1|S<2>,2|C<3>}	112.6340	0.000	1	112.6340	0.000	1	112.6340	0.000	1	114.2907	1.585	315	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[5a,5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6a])(S[5a]C[5a,5a])(S[5a]C[5a,6a])	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]S[5a]2)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6a])(S[5a]C[5a,5a])(S[5a]C[5a,6a]){1|S<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,4|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]S[5a]2){1|H<1>,1|S<2>,4|C<3>}	115.5517	0.190	4	115.5517	0.036	4	115.3035	0.289	6	114.2907	1.585	315	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[5a,5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6a])(S[5a]C[5a,5a])(S[5a]C[5a,6a])	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)(C[5a,5a]S[5a]2)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6a])(S[5a]C[5a,5a])(S[5a]C[5a,6a]){1|S<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,4|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)(C[5a,5a]S[5a]2){1|H<1>,1|S<2>,4|C<3>}	114.8070	0.774	2	114.8070	0.598	2	115.3035	0.289	6	114.2907	1.585	315	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(S[5a]C[5a,6a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]S[5a]2)(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(S[5a]C[5a,6a])(S[5a]C[5a]){1|H<1>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,4|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]S[5a]2)(C[5a]C[5a]H){1|H<1>,3|C<3>}	114.5180	0.000	1	114.5180	0.000	1	113.7635	1.139	2	114.2907	1.585	315	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(S[5a]C[5a,6a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,5a]S[5a]2)(C[5a]C[5a]N)	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(S[5a]C[5a,6a])(S[5a]C[5a]){1|N<2>,1|N<3>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a]){1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,5a]S[5a]2)(C[5a]C[5a]N){3|C<3>}	113.0090	0.000	1	113.0090	0.000	1	113.7635	1.139	2	114.2907	1.585	315	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]Br)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]S[5a]2)(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a]){1|Br<1>,1|C<3>,1|H<1>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]Br){1|H<1>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]S[5a]2)(C[5a]C[5a]H){1|Br<1>,2|C<3>}	112.5580	0.000	1	112.5580	0.000	1	113.0202	0.685	75	114.2907	1.585	315	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]C)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]S[5a]2)(C[5a]C[5a]2)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a]){1|S<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]C){3|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]S[5a]2)(C[5a]C[5a]2){1|H<1>,1|S<2>,4|C<3>}	113.5305	0.342	8	113.5305	0.117	8	113.0202	0.685	75	114.2907	1.585	315	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]C)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]S[5a]2)(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a]){1|H<1>,1|S<2>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]S[5a]2)(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	113.1690	0.461	3	113.1690	0.212	3	113.0202	0.685	75	114.2907	1.585	315	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]C[6a])	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]S[5a]2)(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a]){1|H<1>,1|S<2>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]C[6a]){1|H<1>,4|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]S[5a]2)(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	113.2357	0.991	3	113.2357	0.983	3	113.0202	0.685	75	114.2907	1.585	315	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]2)(C[5a,5a]S[5a]2)(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a]){1|C<3>,1|S<2>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]H){1|H<1>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]2)(C[5a,5a]S[5a]2)(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	112.9210	0.000	1	112.9210	0.000	1	113.0202	0.685	75	114.2907	1.585	315	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]S[5a]2)(C[5a]C[5a]2)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a]){1|H<1>,1|S<2>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]H){3|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]S[5a]2)(C[5a]C[5a]2){1|S<2>,2|H<1>,3|C<3>}	112.5455	0.305	2	112.5455	0.093	2	113.0202	0.685	75	114.2907	1.585	315	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]S[5a]2)(C[5a]C[5a]Br)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a]){1|Br<1>,1|C<3>,1|H<1>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]H){1|Br<1>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]S[5a]2)(C[5a]C[5a]Br){1|C<3>,1|S<2>,2|H<1>}	112.8250	0.000	1	112.7705	0.006	2	113.0202	0.685	75	114.2907	1.585	315	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]S[5a]2)(C[5a]C[5a]Br)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a]){1|Br<1>,1|H<1>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]H){1|Br<1>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]S[5a]2)(C[5a]C[5a]Br){1|C<3>,1|S<2>,2|H<1>}	112.7160	0.000	1	112.7705	0.006	2	113.0202	0.685	75	114.2907	1.585	315	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]S[5a]2)(C[5a]C[5a]S)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a]){1|C<3>,1|H<1>,2|S<2>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]H){1|S<2>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]S[5a]2)(C[5a]C[5a]S){1|C<3>,1|S<2>,2|H<1>}	113.0035	0.022	2	113.0035	0.000	2	113.0202	0.685	75	114.2907	1.585	315	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]S)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]S[5a]2)(C[5a]C[5a]2)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a]){2|C<3>,2|S<2>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]S){3|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]S[5a]2)(C[5a]C[5a]2){1|Br<1>,2|S<2>,3|C<3>}	113.9980	0.437	2	113.9980	0.191	2	113.0202	0.685	75	114.2907	1.585	315	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]Si)	C[5a,5a](C[5a,5a]C[5a,5a]2)(C[5a,5a]S[5a]2)(C[5a]C[5a]Br)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a]){1|Br<1>,1|Si<4>,1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]Si){1|Br<1>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]2)(C[5a,5a]S[5a]2)(C[5a]C[5a]Br){1|Si<4>,1|S<2>,2|C<3>}	114.1413	0.483	3	114.1413	0.233	3	113.0202	0.685	75	114.2907	1.585	315	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]Si)	C[5a,5a](C[5a,5a]C[5a,5a]2)(C[5a,5a]S[5a]2)(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a]){1|Si<4>,1|C<3>,1|H<1>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]Si){1|H<1>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]2)(C[5a,5a]S[5a]2)(C[5a]C[5a]H){1|Si<4>,1|S<2>,2|C<3>}	112.9540	0.221	2	112.9540	0.049	2	113.0202	0.685	75	114.2907	1.585	315	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]Si)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6])(C[5a,5a]S[5a]2)(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a]){1|Si<4>,1|C<3>,1|H<1>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]Si){1|H<1>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6])(C[5a,5a]S[5a]2)(C[5a]C[5a]H){1|Si<4>,1|C<3>,2|S<2>}	111.3070	0.000	1	111.3070	0.000	1	113.0202	0.685	75	114.2907	1.585	315	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]Si)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]S[5a]2)(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a]){1|Si<4>,1|C<3>,1|H<1>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]Si){1|H<1>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]S[5a]2)(C[5a]C[5a]H){1|Si<4>,1|S<2>,2|C<3>}	113.1083	0.964	26	113.1083	0.929	26	113.0202	0.685	75	114.2907	1.585	315	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]Si)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]S[5a]2)(C[5a]C[5a]Br)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a]){1|Br<1>,1|Si<4>,1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]Si){1|Br<1>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]S[5a]2)(C[5a]C[5a]Br){1|Si<4>,1|S<2>,2|C<3>}	113.8195	0.315	2	113.8195	0.099	2	113.0202	0.685	75	114.2907	1.585	315	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]Si)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]S[5a]2)(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a]){1|Si<4>,1|C<3>,1|H<1>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]Si){1|H<1>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]S[5a]2)(C[5a]C[5a]H){1|Br<1>,1|Si<4>,1|C<3>,1|S<2>}	112.2730	0.000	1	112.4915	0.174	12	113.0202	0.685	75	114.2907	1.585	315	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]Si)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]S[5a]2)(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a]){1|Si<4>,1|C<3>,1|H<1>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]Si){1|H<1>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]S[5a]2)(C[5a]C[5a]H){1|Si<4>,1|C<3>,2|S<2>}	112.2720	0.457	2	112.4915	0.174	12	113.0202	0.685	75	114.2907	1.585	315	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]Si)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]S[5a]2)(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a]){1|Si<4>,1|C<3>,1|H<1>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]Si){1|H<1>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]S[5a]2)(C[5a]C[5a]H){1|Si<4>,1|S<2>,2|C<3>}	112.5646	0.434	9	112.4915	0.174	12	113.0202	0.685	75	114.2907	1.585	315	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]Si)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]S[5a]2)(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(S[5a]C[5a]){1|Si<4>,1|C<3>,1|H<1>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]Si){1|H<1>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]S[5a]2)(C[5a]C[5a]H){1|Si<4>,2|C<3>}	112.1904	0.602	5	112.1904	0.362	5	113.0202	0.685	75	114.2907	1.585	315	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a]2)(S[5a]C[5a])2	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]C)	C[5a,5a](C[5a,5a]S[5a]2)(C[5a]C[5a]C)2	C[5a,5a](C[5a,5a]C[5a]2)(S[5a]C[5a])2{2|C<2>,2|C<4>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]C){1|C<4>,2|C<3>}	C[5a,5a](C[5a,5a]S[5a]2)(C[5a]C[5a]C)2{2|C<2>}	113.9015	0.454	4	113.8432	0.083	12	113.3571	0.528	41	114.2907	1.585	315	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a]2)(S[5a]C[5a])2	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]C)	C[5a,5a](C[5a,5a]S[5a]2)(C[5a]C[5a]C)2	C[5a,5a](C[5a,5a]C[5a]2)(S[5a]C[5a])2{2|C<3>,2|C<4>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]C){1|C<4>,2|C<3>}	C[5a,5a](C[5a,5a]S[5a]2)(C[5a]C[5a]C)2{2|C<3>}	113.8141	0.197	8	113.8432	0.083	12	113.3571	0.528	41	114.2907	1.585	315	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a]2)(S[5a]C[5a])2	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]C)	C[5a,5a](C[5a,5a]S[5a]2)(C[5a]C[5a]H)2	C[5a,5a](C[5a,5a]C[5a]2)(S[5a]C[5a])2{1|C<3>,3|H<1>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	C[5a,5a](C[5a,5a]S[5a]2)(C[5a]C[5a]H)2{1|C<3>,1|H<1>}	113.6246	1.237	8	113.3245	0.618	21	113.3571	0.528	41	114.2907	1.585	315	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a]2)(S[5a]C[5a])2	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]C)	C[5a,5a](C[5a,5a]S[5a]2)(C[5a]C[5a]H)2	C[5a,5a](C[5a,5a]C[5a]2)(S[5a]C[5a])2{2|C<3>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	C[5a,5a](C[5a,5a]S[5a]2)(C[5a]C[5a]H)2{2|C<3>}	113.1398	0.203	13	113.3245	0.618	21	113.3571	0.528	41	114.2907	1.585	315	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a]2)(S[5a]C[5a])2	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]S[5a]2)(C[5a]C[5a]H)2	C[5a,5a](C[5a,5a]C[5a]2)(S[5a]C[5a])2{1|C<3>,3|H<1>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]H){1|H<1>,2|C<3>}	C[5a,5a](C[5a,5a]S[5a]2)(C[5a]C[5a]H)2{1|C<3>,1|H<1>}	112.7136	0.487	8	112.7136	0.238	8	113.3571	0.528	41	114.2907	1.585	315	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(S[5a]C[5a,6a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]C)	C[5a,5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,5a]S[5a]2)(C[5a]C[5a]N)	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(S[5a]C[5a,6a])(S[5a]C[5a]){1|N<2>,1|N<3>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]C){1|N<3>,2|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,5a]S[5a]2)(C[5a]C[5a]N){3|C<3>}	112.7750	0.000	1	112.7750	0.000	1	112.8685	0.017	2	114.2907	1.585	315	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(S[5a]C[5a,6a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]C[6a])	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]S[5a]2)(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(S[5a]C[5a,6a])(S[5a]C[5a]){1|H<1>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]C[6a]){1|H<1>,4|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]S[5a]2)(C[5a]C[5a]H){1|H<1>,3|C<3>}	112.9620	0.000	1	112.9620	0.000	1	112.8685	0.017	2	114.2907	1.585	315	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:2:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,6a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[5a,5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6a])(S[5a]C[5a,5a])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,5a]S[5a])	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)(C[5a,5a]S[5a]2)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6a])(S[5a]C[5a,5a])(S[5a]C[5a,6a]){1|S<2>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,5a]S[5a]){5|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)(C[5a,5a]S[5a]2){1|H<1>,1|S<2>,4|C<3>}	114.5392	0.700	24	114.5392	0.490	24	114.5392	0.490	24	114.2907	1.585	315	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:3:	3:3:	3:3:2:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5,5a]-3:C[5a,5a]-3:	C[5,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5,5a]S[5a])(S[5a]C[5,5a])(C[5a]C[5a]H)	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,5a]C[5a,5a]C[5a])	C[5a,5a](C[5,5a]C[5,5a]C[5])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5,5a]S[5a])(S[5a]C[5,5a])(C[5a]C[5a]H){1|C<4>,2|C<3>}	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,5a]C[5a,5a]C[5a]){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[5a,5a](C[5,5a]C[5,5a]C[5])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|H<1>,5|C<3>}	112.8645	0.492	4	112.8645	0.242	4	112.8645	0.242	4	112.5172	0.461	87	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:3:	3:3:	3:3:2:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a]-3:C[5,5a]-3:	C[5,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5,5a]S[5a])(S[5a]C[5,5a])(C[5a]C[5a]C)	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5,5a]C[5,5a]2)	C[5a,5a](C[5,5a]C[5,5a]P[5])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5,5a]S[5a])(S[5a]C[5,5a])(C[5a]C[5a]C){1|C<3>,1|H<1>,1|P<4>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5,5a]C[5,5a]2){1|C<4>,1|P<4>,2|C<3>,2|S<2>}	C[5a,5a](C[5,5a]C[5,5a]P[5])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	111.9402	0.882	4	111.9402	0.779	4	111.7816	0.710	5	112.5172	0.461	87	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:3:	3:3:	3:3:2:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a]-3:C[5,5a]-3:	C[5,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5,5a]S[5a])(S[5a]C[5,5a])(C[5a]C[5a]H)	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5,5a]C[5,5a]C[5])	C[5a,5a](C[5,5a]C[5,5a]P[5])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5,5a]S[5a])(S[5a]C[5,5a])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|P<4>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5,5a]C[5,5a]C[5]){1|H<1>,1|P<4>,1|S<2>,3|C<3>}	C[5a,5a](C[5,5a]C[5,5a]P[5])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|O<1>,2|H<1>,3|C<3>}	111.1470	0.000	1	111.1470	0.000	1	111.7816	0.710	5	112.5172	0.461	87	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:3:	3:3:	3:3:2:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]2)	S[5a](C[5a,5a]C[5a,5a]C[5a])2	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]2){1|H<1>,1|S<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])2{1|H<1>,2|S<2>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|H<1>,3|C<3>}	112.6150	0.000	1	112.6150	0.000	1	112.6029	0.464	66	112.5172	0.461	87	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:3:	3:3:	3:3:2:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]Br)	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]S[5a])	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]Br){1|C<3>,1|H<1>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]S[5a]){1|Br<1>,1|S<2>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|Br<1>,1|C<3>,1|S<2>,2|H<1>}	113.2110	0.000	1	113.2110	0.000	1	112.6029	0.464	66	112.5172	0.461	87	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:3:	3:3:	3:3:2:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]C)	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]C){1|C<3>,1|H<1>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2){1|C<4>,2|C<3>,3|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	112.7830	0.000	1	112.7830	0.000	1	112.6029	0.464	66	112.5172	0.461	87	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:3:	3:3:	3:3:2:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H)	S[5a](C[5a,5a]C[5a,5a]C[5,5a])(C[5a,5a]C[5a,5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]C[5,5a])(C[5a,5a]C[5a,5a]C[5a]){1|H<1>,1|S<4>,2|C<3>,2|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){2|C<3>,2|H<1>}	112.8810	0.000	1	112.8810	0.000	1	112.6029	0.464	66	112.5172	0.461	87	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:3:	3:3:	3:3:2:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H)	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H){1|S<2>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,5a]C[5a]){1|H<1>,2|S<2>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|H<1>,3|C<3>}	111.7280	0.429	2	111.5440	0.754	4	112.6029	0.464	66	112.5172	0.461	87	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:3:	3:3:	3:3:2:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H)	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H){1|Si<4>,1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,5a]C[5a]){1|H<1>,2|S<2>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|Si<4>,1|H<1>,2|C<3>}	111.3600	1.394	2	111.5440	0.754	4	112.6029	0.464	66	112.5172	0.461	87	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:3:	3:3:	3:3:2:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H)	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2){1|H<1>,2|C<3>,3|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){2|C<3>,2|H<1>}	113.0600	0.000	1	112.8457	0.024	4	112.6029	0.464	66	112.5172	0.461	87	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:3:	3:3:	3:3:2:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H)	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H){1|Si<4>,1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2){1|H<1>,2|C<3>,3|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|Si<4>,1|H<1>,2|C<3>}	112.7743	0.078	3	112.8457	0.024	4	112.6029	0.464	66	112.5172	0.461	87	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:3:	3:3:	3:3:2:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H)	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]S[5a])	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H){1|Si<4>,1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]S[5a]){1|H<1>,1|S<2>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|Si<4>,1|C<3>,1|S<2>,2|H<1>}	111.8770	0.000	1	111.8770	0.000	1	112.6029	0.464	66	112.5172	0.461	87	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:3:	3:3:	3:3:2:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H)	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]S[5a])	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a,5a]C[5a,5a]2)(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H){1|Si<4>,1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]S[5a]){1|H<1>,1|S<2>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a,5a]C[5a,5a]2)(S[5a]C[5a]){1|Si<4>,1|H<1>,1|S<2>,2|C<3>}	112.9280	0.270	2	112.9280	0.073	2	112.6029	0.464	66	112.5172	0.461	87	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:3:	3:3:	3:3:2:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H)	S[5a](C[5a,5a]C[5a,5a]C[5a])2	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H){1|Br<1>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])2{1|Si<4>,1|H<1>,2|C<3>,2|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|Br<1>,1|Si<4>,1|C<3>,1|H<1>,1|S<2>}	113.5700	0.000	1	113.1250	0.396	2	112.6029	0.464	66	112.5172	0.461	87	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:3:	3:3:	3:3:2:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H)	S[5a](C[5a,5a]C[5a,5a]C[5a])2	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H){1|H<1>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])2{1|Si<4>,1|H<1>,2|C<3>,2|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|Si<4>,1|C<3>,1|S<2>,2|H<1>}	112.6800	0.000	1	113.1250	0.396	2	112.6029	0.464	66	112.5172	0.461	87	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:3:	3:3:	3:3:2:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H)	S[5a](C[5a,5a]C[5a,5a]C[5a])2	C[5a,5a](C[5a,5a]C[5a,5a]N[5a,6])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])2{1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[5a,5a](C[5a,5a]C[5a,5a]N[5a,6])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|B<4>,2|C<3>,2|H<1>}	113.9805	0.029	2	113.9805	0.001	2	112.6029	0.464	66	112.5172	0.461	87	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:3:	3:3:	3:3:2:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H)	S[5a](C[5a,5a]C[5a,5a]C[5a])2	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H){1|Br<1>,1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]C[5a])2{2|C<3>,2|H<1>,2|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|Br<1>,1|H<1>,2|C<3>}	112.5570	0.000	1	112.6492	0.303	43	112.6029	0.464	66	112.5172	0.461	87	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:3:	3:3:	3:3:2:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H)	S[5a](C[5a,5a]C[5a,5a]C[5a])2	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H){1|C<2>,1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]C[5a])2{2|C<3>,2|H<1>,2|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|C<2>,1|H<1>,2|C<3>}	112.1650	0.000	1	112.6492	0.303	43	112.6029	0.464	66	112.5172	0.461	87	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:3:	3:3:	3:3:2:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H)	S[5a](C[5a,5a]C[5a,5a]C[5a])2	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]C[5a])2{1|H<1>,2|S<2>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	112.7090	0.030	2	112.6492	0.303	43	112.6029	0.464	66	112.5172	0.461	87	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:3:	3:3:	3:3:2:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H)	S[5a](C[5a,5a]C[5a,5a]C[5a])2	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]C[5a])2{1|H<1>,2|S<2>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){2|C<3>,2|H<1>}	113.1070	0.000	1	112.6492	0.303	43	112.6029	0.464	66	112.5172	0.461	87	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:3:	3:3:	3:3:2:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H)	S[5a](C[5a,5a]C[5a,5a]C[5a])2	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]C[5a])2{2|C<3>,2|H<1>,2|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){2|C<3>,2|H<1>}	112.9100	0.598	6	112.6492	0.303	43	112.6029	0.464	66	112.5172	0.461	87	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:3:	3:3:	3:3:2:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H)	S[5a](C[5a,5a]C[5a,5a]C[5a])2	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H){1|C<3>,1|I<1>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]C[5a])2{2|C<3>,2|H<1>,2|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|H<1>,1|I<1>,2|C<3>}	113.1265	0.489	2	112.6492	0.303	43	112.6029	0.464	66	112.5172	0.461	87	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:3:	3:3:	3:3:2:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H)	S[5a](C[5a,5a]C[5a,5a]C[5a])2	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H){1|S<2>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])2{2|C<3>,2|H<1>,2|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|H<1>,3|C<3>}	112.5771	0.579	28	112.6492	0.303	43	112.6029	0.464	66	112.5172	0.461	87	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:3:	3:3:	3:3:2:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H)	S[5a](C[5a,5a]C[5a,5a]C[5a])2	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H){1|Si<4>,1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]C[5a])2{2|C<3>,2|H<1>,2|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|Si<4>,1|H<1>,2|C<3>}	112.3990	0.225	2	112.6492	0.303	43	112.6029	0.464	66	112.5172	0.461	87	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:3:	3:3:	3:3:2:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]Si)	S[5a](C[5a,5a]C[5a,5a]C[5a])2	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]Si){1|Br<1>,1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]C[5a])2{2|Si<4>,2|C<3>,2|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|Br<1>,1|Si<4>,2|C<3>}	111.7205	0.607	4	111.7205	0.368	4	112.6029	0.464	66	112.5172	0.461	87	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:3:	3:3:	3:3:2:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a])(C[5a]C[5a]H)	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a])(C[5a]C[5a]H){1|Br<1>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2){1|H<1>,2|S<2>,3|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	112.0830	0.024	2	112.0830	0.001	2	112.2641	0.123	11	112.5172	0.461	87	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:3:	3:3:	3:3:2:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a])(C[5a]C[5a]H)	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a])(C[5a]C[5a]H){1|H<1>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a]){1|C<2>,1|H<1>,1|S<2>,3|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|C<2>,2|C<3>,2|H<1>}	111.5740	0.000	1	112.3043	0.144	9	112.2641	0.123	11	112.5172	0.461	87	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:3:	3:3:	3:3:2:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a])(C[5a]C[5a]H)	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a])(C[5a]C[5a]H){1|H<1>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|O<2>,1|S<2>,3|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	112.5485	0.202	2	112.3043	0.144	9	112.2641	0.123	11	112.5172	0.461	87	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:3:	3:3:	3:3:2:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a])(C[5a]C[5a]H)	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a])(C[5a]C[5a]H){1|H<1>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a]){1|S<2>,2|H<1>,3|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){2|C<3>,3|H<1>}	112.3413	0.379	4	112.3043	0.144	9	112.2641	0.123	11	112.5172	0.461	87	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:3:	3:3:	3:3:2:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a])(C[5a]C[5a]H)	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a])(C[5a]C[5a]H){3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a]){1|S<2>,2|H<1>,3|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){2|H<1>,3|C<3>}	112.3515	0.122	2	112.3043	0.144	9	112.2641	0.123	11	112.5172	0.461	87	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:3:	3:3:	3:3:2:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,6a]-3:C[5a,5a]-3:	C[5a,6a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a])(C[5a]C[5a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,5a]C[5a])	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a])(C[5a]C[5a]H){1|N<3>,2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,5a]C[5a]){1|H<1>,1|S<2>,4|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	111.9380	0.000	1	111.9380	0.000	1	111.9380	0.000	1	112.5172	0.461	87	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:3:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(C[5a]S[5a]H)	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]S[5a])	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a]S[5a])(C[5a]S[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(C[5a]S[5a]H){1|C<3>,1|H<1>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]S[5a]){1|H<1>,1|S<2>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a]S[5a])(C[5a]S[5a]H){1|Br<1>,1|C<3>,1|H<1>,1|S<2>}	111.1400	0.000	1	111.1400	0.000	1	112.5043	1.400	3	112.7876	0.865	5	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:3:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(C[5a]S[5a]Si)	S[5a](C[5a,5a]C[5a,5a]C[5a])2	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(C[5a]S[5a]Si)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(C[5a]S[5a]Si){1|Si<4>,1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]C[5a])2{1|Si<4>,1|H<1>,2|C<3>,2|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(C[5a]S[5a]Si){1|Si<4>,2|C<3>}	113.1865	0.088	2	113.1865	0.008	2	112.5043	1.400	3	112.7876	0.865	5	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:3:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-3:	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(S[5a]C[5a,6a])(C[5a]C[5a]H)	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(N[5a]C[5a]C)	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(S[5a]C[5a,6a])(C[5a]C[5a]H){4|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(N[5a]C[5a]C){2|H<1>,3|C<3>}	113.0410	0.000	1	113.0410	0.000	1	113.0410	0.000	1	112.7876	0.865	5	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:2:3:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:N[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(S[5a]C[5a,6a])(N[5a]C[5a]H)	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(S[5a]C[5a,6a])(N[5a]C[5a]H){1|H<1>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a]){2|H<1>,4|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H){2|H<1>,3|C<3>}	113.3840	0.000	1	113.3840	0.000	1	113.3840	0.000	1	112.7876	0.865	5	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:2:	3:2:2:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:N[5a]-2:O[5a]-2:	C[5a,5a](C[5a,5a]N[5a]O[5a])(C[5a]C[5a]C)(S[5a]S[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]N[5a])	C[5a,5a](C[5a,5a]C[5a]S[5a])(N[5a]S[5a])(O[5a]C[5a])	C[5a,5a](C[5a,5a]N[5a]O[5a])(C[5a]C[5a]C)(S[5a]S[5a]){1|O<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]N[5a]){1|O<2>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a]S[5a])(N[5a]S[5a])(O[5a]C[5a]){1|C<3>,1|O<1>}	114.4860	0.000	1	114.4860	0.000	1	114.4860	0.000	1	114.4860	0.000	1	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:2:	3:3:3:	C[5a,5a]-3:C[5a,6]-3:S[5a]-2:	C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a,6]C[5a,6]S[6])(S[5a]S[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a,6])(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,6]S[5a])(N[5a]C[5a,6]C)(C[5a]S[5a]O)	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a,6]C[5a,6]S[6])(S[5a]S[5a]){1|C<3>,1|O<1>,2|C<4>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6])(S[5a]C[5a]){1|C<3>,1|N<3>,1|O<1>,1|S<2>}	C[5a,5a](C[5a,5a]C[5a,6]S[5a])(N[5a]C[5a,6]C)(C[5a]S[5a]O){1|C<3>,1|S<2>}	119.3530	0.311	2	119.3530	0.097	2	119.3530	0.097	2	116.6060	22.686	3	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:2:	3:3:3:	C[5a,5a]-3:N[5a]-3:S[5a]-2:	C[5a,5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]O)(S[5a]N[5a])	S[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a])	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]N[5a]H)	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]O)(S[5a]N[5a]){1|H<1>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a]){1|H<1>,1|O<2>,2|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>}	111.1120	0.000	1	111.1120	0.000	1	111.1120	0.000	1	116.6060	22.686	3	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:2:2:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a](C[5a,5a]S[5a]2)(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]O)	C[5a,5a](C[5a,5a]C[5a]S[5a])(S[5a]C[5a])2	C[5a,5a](C[5a,5a]S[5a]2)(C[5a]C[5a]C)(S[5a]C[5a]){1|C<4>,1|O<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]O){1|C<3>,1|C<4>,1|S<2>}	C[5a,5a](C[5a,5a]C[5a]S[5a])(S[5a]C[5a])2{1|O<1>,2|C<4>}	116.1610	0.000	1	116.1610	0.000	1	116.3755	0.092	2	117.2533	2.358	3	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:2:2:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a](C[5a,5a]S[5a]2)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]O)	C[5a,5a](C[5a,5a]C[5a]S[5a])(S[5a]C[5a])2	C[5a,5a](C[5a,5a]S[5a]2)(C[5a]C[5a]H)(S[5a]C[5a]){1|Br<1>,1|O<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]O){1|C<3>,1|H<1>,1|S<2>}	C[5a,5a](C[5a,5a]C[5a]S[5a])(S[5a]C[5a])2{1|Br<1>,1|H<1>,1|O<1>}	116.5900	0.000	1	116.5900	0.000	1	116.3755	0.092	2	117.2533	2.358	3	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:2:2:	C[5a,5a]-3:N[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a](C[5a,5a]S[5a]2)(N[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]O)	C[5a,5a](C[5a,5a]N[5a]S[5a])(S[5a]C[5a])2	C[5a,5a](C[5a,5a]S[5a]2)(N[5a]C[5a]C)(S[5a]C[5a]){2|O<1>}	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]O){1|C<3>,1|C<4>,1|S<2>}	C[5a,5a](C[5a,5a]N[5a]S[5a])(S[5a]C[5a])2{1|C<4>,2|O<1>}	119.0090	0.000	1	119.0090	0.000	1	119.0090	0.000	1	117.2533	2.358	3	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:2:3:	C[5,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a](C[5,5a]C[5,5a]C[5])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5,5a])(C[5a]C[5a]C)	C[5a,5a](C[5a,5a]C[5,5a]S[5a])(S[5a]C[5,5a])(C[5a]C[5a]H)	C[5a,5a](C[5,5a]C[5,5a]C[5])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|H<1>,5|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5,5a])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5a,5a](C[5a,5a]C[5,5a]S[5a])(S[5a]C[5,5a])(C[5a]C[5a]H){1|C<4>,2|C<3>}	112.2127	0.471	4	112.2127	0.222	4	111.0663	1.483	9	110.9346	0.597	88	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:2:3:	C[5,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a](C[5,5a]C[5,5a]P[5])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5,5a])(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5,5a]S[5a])(S[5a]C[5,5a])(C[5a]C[5a]C)	C[5a,5a](C[5,5a]C[5,5a]P[5])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5,5a])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|P<4>,1|S<2>}	C[5a,5a](C[5a,5a]C[5,5a]S[5a])(S[5a]C[5,5a])(C[5a]C[5a]C){1|C<3>,1|H<1>,1|P<4>}	110.0330	0.698	4	110.0330	0.487	4	111.0663	1.483	9	110.9346	0.597	88	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:2:3:	C[5,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a](C[5,5a]C[5,5a]P[5])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5,5a])(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5,5a]S[5a])(S[5a]C[5,5a])(C[5a]C[5a]H)	C[5a,5a](C[5,5a]C[5,5a]P[5])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|O<1>,2|H<1>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5,5a])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|P<4>,1|S<2>}	C[5a,5a](C[5a,5a]C[5,5a]S[5a])(S[5a]C[5,5a])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|P<4>}	110.6140	0.000	1	110.6140	0.000	1	111.0663	1.483	9	110.9346	0.597	88	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:2:3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:O[5a]-2:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]O[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(O[5a]C[5a,5a])(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]O[5a])(S[5a]C[5a]){2|C<3>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|O<2>,1|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(O[5a]C[5a,5a])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|S<2>}	110.2370	0.000	1	110.2370	0.000	1	110.2370	0.000	1	110.9346	0.597	88	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:2:3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]Br)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|Br<1>,1|Si<4>,1|C<3>,1|H<1>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]Br){1|H<1>,1|S<2>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H){1|Br<1>,2|C<3>}	111.0200	0.000	1	111.0200	0.000	1	110.9349	0.560	66	110.9346	0.597	88	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:2:3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]Br)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|Br<1>,1|C<3>,1|S<2>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]H){1|Br<1>,1|S<2>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]Br){1|C<3>,1|H<1>,1|S<2>}	110.8390	0.000	1	110.8390	0.000	1	110.9349	0.560	66	110.9346	0.597	88	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:2:3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|Si<4>,1|C<3>,1|S<2>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H){1|H<1>,2|C<3>}	110.1130	0.000	1	110.1130	0.000	1	110.9349	0.560	66	110.9346	0.597	88	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:2:3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]Si)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|Si<4>,1|C<3>,1|S<2>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]Si){1|H<1>,1|S<2>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H){1|Si<4>,1|C<3>,1|S<2>}	109.9130	0.000	1	109.9130	0.000	1	110.9349	0.560	66	110.9346	0.597	88	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:2:3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]N[5a,6])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]N[5a,6])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|B<4>,2|C<3>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>}	110.9280	0.175	2	110.9280	0.031	2	110.9349	0.560	66	110.9346	0.597	88	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:2:3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]2)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|H<1>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]2){1|H<1>,2|C<3>,3|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H){1|S<2>,2|C<3>}	111.1762	0.160	9	111.1762	0.026	9	110.9349	0.560	66	110.9346	0.597	88	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:2:3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]Br)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|Br<1>,1|H<1>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]Br){1|C<3>,1|H<1>,2|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H){1|Br<1>,1|C<3>,1|S<2>}	111.3510	0.000	1	111.3510	0.000	1	110.9349	0.560	66	110.9346	0.597	88	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:2:3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]Br)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]Si)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|Br<1>,1|Si<4>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]Br){1|Si<4>,1|C<3>,2|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]Si){1|Br<1>,1|C<3>,1|S<2>}	111.0768	0.214	4	111.0768	0.046	4	110.9349	0.560	66	110.9346	0.597	88	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:2:3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]C)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|C<2>,1|H<1>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]C){1|C<3>,1|H<1>,2|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H){1|C<2>,1|C<3>,1|S<2>}	111.4510	0.000	1	111.3431	0.567	19	110.9349	0.560	66	110.9346	0.597	88	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:2:3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]C)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]C){1|C<3>,1|H<1>,2|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|S<2>}	110.5810	0.226	2	111.3431	0.567	19	110.9349	0.560	66	110.9346	0.597	88	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:2:3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]C)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|H<1>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]C){1|C<3>,1|H<1>,2|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H){1|S<2>,2|C<3>}	111.4316	0.769	16	111.3431	0.567	19	110.9349	0.560	66	110.9346	0.597	88	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:2:3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]C[6a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|H<1>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]C[6a]){1|H<1>,2|S<2>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H){1|S<2>,2|C<3>}	110.6344	0.267	5	110.6344	0.072	5	110.9349	0.560	66	110.9346	0.597	88	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:2:3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]2)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|H<1>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]H){2|C<3>,2|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]2){1|H<1>,1|S<2>,3|C<3>}	111.1700	0.000	1	111.1700	0.000	1	110.9349	0.560	66	110.9346	0.597	88	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:2:3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]C)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]H){1|C<3>,1|C<4>,2|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]C){1|C<3>,1|H<1>,1|S<2>}	111.1710	0.000	1	111.1710	0.000	1	110.9349	0.560	66	110.9346	0.597	88	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:2:3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){2|C<3>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,2|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|S<2>}	111.1191	0.495	9	111.1191	0.245	9	110.9349	0.560	66	110.9346	0.597	88	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:2:3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]I)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|H<1>,1|I<1>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]I){1|C<3>,1|H<1>,2|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H){1|C<3>,1|I<1>,1|S<2>}	111.1990	0.059	2	111.1990	0.004	2	110.9349	0.560	66	110.9346	0.597	88	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:2:3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]Si)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|Si<4>,1|H<1>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]Si){1|C<3>,1|H<1>,2|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H){1|Si<4>,1|C<3>,1|S<2>}	110.1050	0.635	7	110.1050	0.404	7	110.9349	0.560	66	110.9346	0.597	88	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:2:3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a,5a]C[5a,5a]2)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]Si)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a,5a]C[5a,5a]2)(S[5a]C[5a]){1|Si<4>,1|H<1>,1|S<2>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]Si){1|H<1>,1|S<2>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])(C[5a]C[5a]H){1|Si<4>,1|C<3>,1|S<2>}	108.7415	0.069	2	108.7415	0.005	2	110.9349	0.560	66	110.9346	0.597	88	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]Br)	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a])(C[5a]C[5a]H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]Br){1|H<1>,1|S<2>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a])(C[5a]C[5a]H){1|Br<1>,2|C<3>}	110.0075	0.272	2	110.0075	0.074	2	110.8923	0.275	12	110.9346	0.597	88	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]C)	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a])(C[5a]C[5a]H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]C){1|H<1>,1|S<2>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a])(C[5a]C[5a]H){3|C<3>}	111.1230	0.000	1	111.1230	0.000	1	110.8923	0.275	12	110.9346	0.597	88	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]C[6a])	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a])(C[5a]C[5a]H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a])(C[5a]C[5a]H){3|C<3>}	111.3080	0.000	1	111.3080	0.000	1	110.8923	0.275	12	110.9346	0.597	88	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a])(C[5a]C[5a]H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|C<2>,2|C<3>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a])(C[5a]C[5a]H){1|H<1>,2|C<3>}	110.6780	0.000	1	111.1091	0.112	7	110.8923	0.275	12	110.9346	0.597	88	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a])(C[5a]C[5a]H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a])(C[5a]C[5a]H){1|H<1>,2|C<3>}	111.0135	0.114	2	111.1091	0.112	7	110.8923	0.275	12	110.9346	0.597	88	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a])(C[5a]C[5a]H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){2|C<3>,3|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a])(C[5a]C[5a]H){1|H<1>,2|C<3>}	111.2647	0.345	4	111.1091	0.112	7	110.8923	0.275	12	110.9346	0.597	88	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]N[6])	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a])(C[5a]C[5a]H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]N[6]){1|H<1>,1|S<2>,2|C<3>,2|C<4>}	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a])(C[5a]C[5a]H){1|N<3>,2|C<3>}	110.4970	0.000	1	110.4970	0.000	1	110.8923	0.275	12	110.9346	0.597	88	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5,5a]-3:	C[5,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,5a]C[5,5a]S[5a])(S[5a]C[5,5a])	S[5a](C[5a,5a]C[5a,5a]C[5,5a])(C[5,5a]C[5,5a]C[5])	C[5a,5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,5a]C[5,5a]S[5a])(S[5a]C[5,5a])	C[5a,5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,5a]C[5,5a]S[5a])(S[5a]C[5,5a]){5|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5,5a])(C[5,5a]C[5,5a]C[5]){1|S<2>,5|C<3>}	C[5a,5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,5a]C[5,5a]S[5a])(S[5a]C[5,5a]){5|C<3>}	112.1470	0.000	1	112.1470	0.000	1	112.1470	0.000	1	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]C[5,5a])2	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5,5a]S[5a])(S[5a]C[5,5a])	C[5a,5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a]){1|C<4>,1|S<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5,5a])2{2|S<2>,4|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5,5a]S[5a])(S[5a]C[5,5a]){1|C<4>,3|C<3>}	112.7455	0.073	2	112.7455	0.005	2	112.7455	0.005	2	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5,5a]C[5,5a]S[5])(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]C[5,5a])(C[5a,5a]C[5a,5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5,5a]S[5a])(S[5a]C[5,5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5,5a]C[5,5a]S[5])(S[5a]C[5a,5a]){1|S<2>,2|O<1>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5,5a])(C[5a,5a]C[5a,5a]C[5a]){1|H<1>,1|S<4>,2|C<3>,2|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5,5a]S[5a])(S[5a]C[5,5a]){1|S<4>,3|C<3>}	112.1600	0.000	1	112.1600	0.000	1	112.1600	0.000	1	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5,5a]-3:C[5a,5a]-3:	C[5,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5,5a]S[5a])(S[5a]C[5,5a])	S[5a](C[5,5a]C[5,5a]C[5])(C[5a,5a]C[5a,5a]2)	C[5a,5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5,5a]S[5a])(S[5a]C[5,5a]){1|C<4>,3|C<3>}	S[5a](C[5,5a]C[5,5a]C[5])(C[5a,5a]C[5a,5a]2){2|C<4>,2|S<2>,3|C<3>}	C[5a,5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a]){1|C<4>,1|S<2>,3|C<3>}	112.2135	0.197	2	112.2135	0.039	2	112.2135	0.039	2	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5,5a]-3:	C[5a,5a]-3:C[5,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5,5a]S[5a])(S[5a]C[5,5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5,5a]C[5,5a]2)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5,5a]C[5,5a]S[5])(S[5a]C[5a,5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5,5a]S[5a])(S[5a]C[5,5a]){1|S<4>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5,5a]C[5,5a]2){1|S<4>,2|C<3>,3|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5,5a]C[5,5a]S[5])(S[5a]C[5a,5a]){1|S<2>,2|O<1>,3|C<3>}	112.0490	0.000	1	112.0490	0.000	1	112.0490	0.000	1	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a]){5|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2){1|O<1>,1|S<2>,4|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a]){5|C<3>}	111.7000	0.000	2	111.7000	0.000	2	115.5309	57.307	24	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,5a]2)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,5a]2)(S[5a]C[5a,5a])	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a]){1|H<1>,2|C<3>,2|S<2>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,5a]2){1|S<2>,4|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,5a]2)(S[5a]C[5a,5a]){2|S<2>,3|C<3>}	113.1740	0.025	2	113.1740	0.001	2	115.5309	57.307	24	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]2)2	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a]){1|C<4>,1|N<3>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)2{2|C<3>,2|N<3>,2|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a]){1|C<4>,1|N<3>,3|C<3>}	113.4860	0.000	1	113.4860	0.000	1	115.5309	57.307	24	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,5a]2)(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,5a]2)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,5a]2)(S[5a]C[5a,5a]){2|S<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,5a]2){1|S<2>,4|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a]){1|H<1>,2|C<3>,2|S<2>}	112.3075	0.316	2	112.3075	0.100	2	115.5309	57.307	24	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])2(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]2)2	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])2(S[5a]C[5a,5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])2(S[5a]C[5a,5a]){1|S<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)2{2|C<3>,4|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])2(S[5a]C[5a,5a]){1|S<2>,3|C<3>}	112.7618	0.371	9	112.7618	0.138	9	115.5309	57.307	24	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])2(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])2(S[5a]C[5a,5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])2(S[5a]C[5a,5a]){1|S<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2){1|C<4>,2|C<3>,3|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])2(S[5a]C[5a,5a]){1|S<2>,3|C<3>}	124.1515	16.045	2	121.2546	131.478	8	115.5309	57.307	24	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])2(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])2(S[5a]C[5a,5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])2(S[5a]C[5a,5a]){1|S<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2){1|H<1>,2|C<3>,3|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])2(S[5a]C[5a,5a]){1|S<2>,3|C<3>}	120.2890	11.318	6	121.2546	131.478	8	115.5309	57.307	24	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|N<3>,1|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	142.5330	0.000	1	142.5330	0.000	1	137.8274	7.521	5	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]C)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|H<1>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]C){1|C<3>,1|H<1>,2|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|H<1>,3|C<3>}	135.6070	0.000	1	135.6070	0.000	1	137.8274	7.521	5	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]C[6a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|H<1>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]C[6a]){1|H<1>,2|S<2>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|H<1>,3|C<3>}	136.9990	0.690	3	136.9990	0.475	3	137.8274	7.521	5	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]C)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]C[5])(S[5a]C[5a,5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|C<4>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]C){2|C<3>,2|S<2>}	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>}	111.4305	0.204	2	111.4305	0.042	2	111.4305	0.042	2	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:N[5a]-3:N[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]N[5a]2)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]N[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C[6a])(N[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]N[5a]2)(S[5a]C[5a]){1|N<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]N[5a]){1|C<3>,1|N<2>,1|N<3>,2|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C[6a])(N[5a]C[5a]){1|N<2>,1|S<2>,3|C<3>}	108.7440	0.000	1	108.7440	0.000	1	108.4131	0.142	26	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:N[5a]-3:N[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]N[5a]2)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]N[5a]Br)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(N[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]N[5a]2)(S[5a]C[5a]){1|Br<1>,1|C<3>,1|C<4>,1|N<2>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]N[5a]Br){1|C<3>,1|N<3>,1|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(N[5a]C[5a]){1|Br<1>,1|N<2>,1|S<2>}	108.0625	0.357	2	108.0625	0.128	2	108.4131	0.142	26	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:N[5a]-3:N[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]N[5a]2)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]N[5a]C)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(N[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]N[5a]2)(S[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]N[5a]C){1|C<3>,1|N<3>,1|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(N[5a]C[5a]){1|C<3>,1|N<2>,1|S<2>}	108.3085	0.100	8	108.3085	0.010	8	108.4131	0.142	26	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:N[5a]-3:N[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]N[5a]2)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]N[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(N[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]N[5a]2)(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]N[5a]H){1|C<3>,1|N<3>,1|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(N[5a]C[5a]){1|H<1>,1|N<2>,1|S<2>}	108.5835	0.439	4	108.5835	0.192	4	108.4131	0.142	26	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:N[5a]-3:N[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]N[5a]2)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]N[5a]Si)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(N[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]N[5a]2)(S[5a]C[5a]){1|Si<4>,1|C<3>,1|C<4>,1|N<2>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]N[5a]Si){1|C<3>,1|N<3>,1|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(N[5a]C[5a]){1|Si<4>,1|N<2>,1|S<2>}	108.4664	0.492	10	108.4664	0.242	10	108.4131	0.142	26	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:N[5a]-3:N[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]N[5a]2)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]N[5a]Si)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C[6a])(N[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]N[5a]2)(S[5a]C[5a]){1|Si<4>,1|N<2>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]N[5a]Si){1|C<3>,1|N<3>,1|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C[6a])(N[5a]C[5a]){1|Si<4>,1|N<2>,1|S<2>,2|C<3>}	108.4050	0.000	1	108.4050	0.000	1	108.4131	0.142	26	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a]){4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2){1|H<1>,2|S<2>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a]){4|C<3>}	134.4865	0.084	2	134.4865	0.007	2	134.4865	0.007	2	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,6a]O[5a])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,6a]O[5a])(S[5a]C[5a,6a]){4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2){1|H<1>,1|O<2>,1|S<2>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,5a]){1|H<1>,1|S<2>,3|C<3>}	110.9880	0.000	1	110.9880	0.000	1	110.9880	0.000	1	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]2)(S[5a]C[5a,5a])	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a]){1|H<1>,1|S<2>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2){1|H<1>,1|S<2>,4|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]2)(S[5a]C[5a,5a]){1|S<2>,4|C<3>}	112.5885	0.412	2	112.5885	0.170	2	112.4134	0.350	9	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,5a])	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a]){1|C<4>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,5a]){1|H<1>,1|N<3>,3|C<3>}	112.2030	0.000	1	112.2030	0.000	1	112.4134	0.350	9	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]2)(S[5a]C[5a,5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a]){4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2){1|H<1>,2|S<2>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]2)(S[5a]C[5a,5a]){1|S<2>,4|C<3>}	112.2015	0.620	2	112.2015	0.385	2	112.4134	0.350	9	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a]){4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2){1|H<1>,2|S<2>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,5a]){1|H<1>,1|S<2>,3|C<3>}	112.4845	0.822	4	112.4845	0.676	4	112.4134	0.350	9	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]2)(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]2)(S[5a]C[5a,5a]){1|S<2>,4|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,5a]C[5a]){1|H<1>,2|S<2>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a]){4|C<3>}	111.4120	0.037	2	111.4120	0.001	2	112.0683	0.726	9	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]2)(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,5a]S[5a])	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]2)(S[5a]C[5a,5a]){1|S<2>,4|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,5a]S[5a]){1|S<2>,4|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a]){1|H<1>,1|S<2>,3|C<3>}	111.7745	0.890	2	111.7745	0.793	2	112.0683	0.726	9	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,5a]){1|H<1>,1|S<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,5a]C[5a]){1|H<1>,2|S<2>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a]){4|C<3>}	111.8845	0.018	2	111.8845	0.000	2	112.0683	0.726	9	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])2	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,5a]){1|H<1>,1|N<3>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])2{1|N<3>,1|S<2>,4|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a]){1|C<4>,4|C<3>}	113.9070	0.000	1	113.9070	0.000	1	112.0683	0.726	9	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])2	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,5a]){1|H<1>,1|S<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])2{2|S<2>,4|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a]){4|C<3>}	112.2830	0.660	2	112.2830	0.436	2	112.0683	0.726	9	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,5a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,5a](C[5a,5a]C[5a,6a]O[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])	C[5a,5a](C[5a,5a]C[5a,6a]O[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|O<2>,4|C<3>}	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a]){1|H<1>,4|C<3>}	112.5110	1.368	4	112.5110	1.870	4	112.5110	1.870	4	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]B[6a])(S[5a]C[5a,6a])	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a,6a])	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]B[6a])(S[5a]C[5a,6a])	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]B[6a])(S[5a]C[5a,6a]){1|B<3>,1|N<3>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a,6a]){1|S<2>,2|B<3>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]B[6a])(S[5a]C[5a,6a]){1|B<3>,1|N<3>,3|C<3>}	110.7320	0.000	1	110.7320	0.000	1	112.6021	0.383	105	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	112.6134	0.593	103	112.6201	0.353	104	112.6021	0.383	105	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|S<2>,5|C<3>}	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	113.3160	0.000	1	112.6201	0.353	104	112.6021	0.383	105	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:B[5a]-3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]S[5a]H)(S[5a]B[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(B[5a]B[5a]S[5a])	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]S[5a]H)(S[5a]B[5a])	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]S[5a]H)(S[5a]B[5a]){1|B<3>,1|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(B[5a]B[5a]S[5a]){1|C<3>,1|H<1>,3|S<2>}	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]S[5a]H)(S[5a]B[5a]){1|B<3>,1|H<1>}	117.1745	0.015	2	117.1745	0.000	2	117.1745	0.000	2	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]C[5])(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])2	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	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>}	S[5a](C[5a,5a]C[5a,5a]C[5a])2{1|H<1>,2|S<2>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|C<4>,3|C<3>}	112.2845	0.066	2	112.2845	0.004	2	112.2845	0.004	2	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:O[5a]-2:	C[5a,5a](C[5a,5a]C[5a]O[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a]O[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,2|H<1>}	110.1010	0.000	1	109.9740	0.032	2	109.5594	0.671	5	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:O[5a]-2:	C[5a,5a](C[5a,5a]C[5a]O[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a]O[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2){2|C<3>,2|H<1>,2|O<2>}	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,2|H<1>}	109.8470	0.000	1	109.9740	0.032	2	109.5594	0.671	5	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:O[5a]-2:	C[5a,5a](C[5a,5a]C[5a]O[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a]O[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H){1|C<3>,1|O<2>,2|H<1>}	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,2|H<1>}	109.2830	1.019	3	109.2830	1.038	3	109.5594	0.671	5	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H){1|S<2>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a]){2|H<1>,3|C<3>}	110.0025	0.105	2	110.0025	0.011	2	110.9458	1.749	80	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a]){2|C<3>,3|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,2|H<1>}	110.3520	0.491	4	110.3520	0.241	4	110.9458	1.749	80	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]Br)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]Br)(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]Br)(S[5a]C[5a]){1|Br<1>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2){2|Br<1>,2|C<3>,2|S<2>}	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]Br)(S[5a]C[5a]){1|Br<1>,2|C<3>}	112.3580	0.000	1	112.3580	0.000	1	110.9458	1.749	80	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]Br)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]Br)(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]Br)(S[5a]C[5a]){1|Br<1>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C){2|Br<1>,1|C<3>,1|S<2>}	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]Br)(S[5a]C[5a]){1|Br<1>,2|C<3>}	111.6383	0.099	3	111.6383	0.010	3	110.9458	1.749	80	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]Br)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]Br)(S[5a]C[5a]){1|C<4>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C){1|Br<1>,1|S<2>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|Br<1>,1|C<3>,1|C<4>}	112.6430	0.000	1	112.6430	0.000	1	110.9458	1.749	80	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]Br)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a])	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]Br)(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]Br)(S[5a]C[5a]){1|Br<1>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a]){2|Br<1>,1|S<2>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]Br)(S[5a]C[5a]){1|Br<1>,2|C<3>}	111.6517	0.345	3	111.6517	0.119	3	110.9458	1.749	80	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2){1|C<3>,1|N<2>,2|C<4>,2|S<2>}	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	110.7180	0.000	1	110.6750	0.004	2	110.9458	1.749	80	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2){2|S<2>,4|C<3>}	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){3|C<3>}	110.6320	0.000	1	110.6750	0.004	2	110.9458	1.749	80	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]Br)(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|Br<1>,1|C<3>,1|C<4>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C){1|Br<1>,1|S<2>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]Br)(S[5a]C[5a]){1|C<4>,2|C<3>}	112.1670	0.000	1	112.1670	0.000	1	110.9458	1.749	80	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C){1|S<2>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){3|C<3>}	112.5170	0.000	1	112.5170	0.000	1	110.9458	1.749	80	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H){1|C<3>,1|S<2>,2|C<4>}	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	110.8050	0.000	1	110.8050	0.000	1	110.9458	1.749	80	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|C<3>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,2|C<3>}	110.9910	0.752	2	110.9910	0.566	2	110.9458	1.749	80	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C[6a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]B)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C[6a])(S[5a]C[5a]){1|B<3>,1|H<1>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]B){1|H<1>,1|S<2>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|B<3>,2|C<3>}	110.0447	0.525	3	110.0447	0.276	3	110.9458	1.749	80	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C[6a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a])	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C[6a])(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C[6a])(S[5a]C[5a]){5|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a]){1|S<2>,5|C<3>}	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C[6a])(S[5a]C[5a]){5|C<3>}	110.9470	0.257	2	110.9470	0.066	2	110.9458	1.749	80	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C[6a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C[6a])(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,2|C<3>}	110.6140	0.000	1	110.6140	0.000	1	110.9458	1.749	80	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2){1|C<3>,1|N<2>,2|H<1>,2|S<2>}	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,2|H<1>}	111.3990	0.000	1	111.3694	0.200	5	110.9458	1.749	80	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,2|H<1>}	112.0500	0.000	1	111.3694	0.200	5	110.9458	1.749	80	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2){1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,2|H<1>}	110.8290	0.000	1	111.3694	0.200	5	110.9458	1.749	80	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2){2|C<3>,2|H<1>,2|S<2>}	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,2|H<1>}	111.4020	0.000	1	111.3694	0.200	5	110.9458	1.749	80	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2){2|C<3>,2|H<1>,2|S<2>}	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,2|C<3>}	111.1670	0.000	1	111.3694	0.200	5	110.9458	1.749	80	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]S)(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Si<4>,1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2){1|H<1>,2|C<3>,3|S<2>}	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]S)(S[5a]C[5a]){1|Si<4>,1|C<3>,1|H<1>}	110.1570	0.000	1	110.9025	1.112	2	110.9458	1.749	80	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]S)(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Si<4>,1|C<3>,1|S<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2){1|H<1>,1|S<3>,2|C<3>,2|S<2>}	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]S)(S[5a]C[5a]){1|Si<4>,1|C<3>,1|H<1>}	111.6480	0.000	1	110.9025	1.112	2	110.9458	1.749	80	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C){1|H<1>,1|S<2>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|C<3>,2|H<1>}	112.0860	0.031	2	112.0860	0.001	2	110.9458	1.749	80	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,2|H<1>}	111.1883	0.469	3	110.9156	0.422	10	110.9458	1.749	80	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,2|C<2>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,2|C<2>}	112.0250	0.000	1	110.9156	0.422	10	110.9458	1.749	80	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,2|C<3>}	110.5943	0.507	6	110.9156	0.422	10	110.9458	1.749	80	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[5])	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[5]){1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,2|H<1>}	110.5460	0.000	1	111.0360	0.480	2	110.9458	1.749	80	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[5])	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[5]){1|S<2>,1|S<4>,2|C<3>,2|H<1>}	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,2|H<1>}	111.5260	0.000	1	111.0360	0.480	2	110.9458	1.749	80	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a])	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C[6a])(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|B<3>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C[6a])(S[5a]C[5a]){1|B<3>,1|H<1>,3|C<3>}	110.5390	0.275	3	110.4265	0.101	4	110.9458	1.749	80	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a])	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C[6a])(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C[6a])(S[5a]C[5a]){2|H<1>,3|C<3>}	110.0890	0.000	1	110.4265	0.101	4	110.9458	1.749	80	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a])	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a]){1|S<2>,2|H<1>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,2|C<3>}	111.4920	0.000	1	111.4920	0.000	1	110.9458	1.749	80	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a]){2|C<3>,3|H<1>}	111.0652	0.536	4	111.0652	0.287	4	110.9458	1.749	80	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H){1|C<3>,1|S<2>,2|H<1>}	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,2|H<1>}	110.7574	0.608	9	110.1270	1.443	19	110.9458	1.749	80	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){3|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H){1|C<3>,1|S<2>,2|H<1>}	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){3|H<1>}	109.5596	1.342	10	110.1270	1.443	19	110.9458	1.749	80	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]S)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]Si)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]S)(S[5a]C[5a]){1|Si<4>,1|C<3>,1|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]Si){1|C<3>,1|H<1>,1|S<2>,1|S<3>}	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Si<4>,1|C<3>,1|S<3>}	110.1600	0.000	1	110.2915	0.035	2	110.9458	1.749	80	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]S)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]Si)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]S)(S[5a]C[5a]){1|Si<4>,1|C<3>,1|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]Si){1|C<3>,1|H<1>,2|S<2>}	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Si<4>,1|C<3>,1|S<2>}	110.4230	0.000	1	110.2915	0.035	2	110.9458	1.749	80	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[6a]O[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]O)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[6a]O[5a])(S[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[6a]O[5a])(S[5a]C[5a]){1|O<1>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]O){1|O<2>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[6a]O[5a])(S[5a]C[5a]){1|O<1>,3|C<3>}	116.7065	0.086	2	116.7065	0.007	2	110.9458	1.749	80	112.5290	23.631	283	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:N[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]2)2	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a]){1|C<4>,1|N<3>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)2{2|C<3>,2|N<3>,2|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C){1|C<4>,1|S<2>,3|C<3>}	113.8653	0.429	4	113.8653	0.184	4	114.9157	26.431	18	113.0101	14.612	137	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:N[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]2)2	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C[6a])	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a]){1|N<3>,4|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)2{2|C<3>,2|N<3>,2|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C[6a]){1|S<2>,6|C<3>}	113.7951	0.518	12	113.7951	0.269	12	114.9157	26.431	18	113.0101	14.612	137	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:N[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]2)2	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])2(N[5a]C[5a,5a]C)	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a]){1|C<4>,1|N<3>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)2{2|C<3>,2|N<3>,2|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])2(N[5a]C[5a,5a]C){1|S<2>,3|C<3>}	135.3720	0.000	1	123.7400	270.607	2	114.9157	26.431	18	113.0101	14.612	137	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:N[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]2)2	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])2(N[5a]C[5a,5a]C)	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a]){1|C<4>,1|S<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)2{2|C<3>,2|N<3>,2|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])2(N[5a]C[5a,5a]C){1|S<2>,3|C<3>}	112.1080	0.000	1	123.7400	270.607	2	114.9157	26.431	18	113.0101	14.612	137	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[5a,5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a]){5|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2){1|O<1>,1|S<2>,4|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a]){1|H<1>,1|O<1>,4|C<3>}	136.0430	0.000	2	136.0430	0.000	2	136.0430	0.000	2	113.0101	14.612	137	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]Br)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a]){1|Br<1>,1|H<1>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]Br){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(C[5a]C[5a]H){1|Br<1>,1|C<3>,1|S<2>}	111.7720	0.037	2	111.7720	0.001	2	110.8939	0.354	34	113.0101	14.612	137	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]C)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C[6a])(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a]){1|H<1>,4|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]C){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C[6a])(C[5a]C[5a]H){1|S<2>,4|C<3>}	111.2818	0.176	4	111.2818	0.031	4	110.8939	0.354	34	113.0101	14.612	137	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]C[6a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C[6a])(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a]){1|H<1>,4|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]C[6a]){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C[6a])(C[5a]C[5a]H){1|S<2>,4|C<3>}	110.9975	0.228	2	110.9975	0.052	2	110.8939	0.354	34	113.0101	14.612	137	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|S<2>}	110.2118	0.819	5	110.7915	0.607	11	110.8939	0.354	34	113.0101	14.612	137	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|S<2>}	111.2747	0.247	6	110.7915	0.607	11	110.8939	0.354	34	113.0101	14.612	137	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C[6a])(C[5a]C[5a]C)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|N<3>,1|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|S<2>,3|C<3>}	110.3470	0.000	1	110.3470	0.000	1	110.8939	0.354	34	113.0101	14.612	137	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C[6a])(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|S<2>,3|C<3>}	110.7622	0.452	14	110.7622	0.204	14	110.8939	0.354	34	113.0101	14.612	137	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,6a]N[5a])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,5a]C)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,6a]N[5a])(S[5a]C[5a,6a]){1|C<4>,1|S<2>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2){1|H<1>,1|N<3>,4|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,5a]C){1|H<1>,1|S<2>,3|C<3>}	112.6450	0.000	1	112.6450	0.000	1	112.2993	0.102	10	113.0101	14.612	137	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,6a]N[5a])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,5a]C[6a])	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,6a]N[5a])(S[5a]C[5a,6a]){1|S<2>,5|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2){1|H<1>,1|N<3>,4|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,5a]C[6a]){1|H<1>,1|S<2>,5|C<3>}	112.6530	0.000	1	112.6530	0.000	1	112.2993	0.102	10	113.0101	14.612	137	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,6a]N[5a])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,5a]C)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,6a]N[5a])(S[5a]C[5a,6a]){1|C<4>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,5a]C){1|H<1>,1|S<2>,3|C<3>}	112.0515	0.244	2	112.0515	0.060	2	112.2993	0.102	10	113.0101	14.612	137	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,6a]N[5a])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,5a]C[6a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,6a]N[5a])(S[5a]C[5a,6a]){5|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,5a]C[6a]){1|H<1>,1|S<2>,5|C<3>}	111.9310	0.231	2	111.9310	0.053	2	112.2993	0.102	10	113.0101	14.612	137	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,6a]N[5a])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,6a]N[5a])(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,5a]H){1|H<1>,1|S<2>,3|C<3>}	112.4325	0.176	4	112.4325	0.031	4	112.2993	0.102	10	113.0101	14.612	137	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:N[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])2	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,6a]S[5a])(N[5a]C[5a,6a]C)	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,5a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])2{2|N<3>,4|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,6a]S[5a])(N[5a]C[5a,6a]C){1|C<4>,4|C<3>}	114.0143	0.193	6	114.0143	0.037	6	113.9242	0.155	9	113.0101	14.612	137	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:N[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])2	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,6a]S[5a])(N[5a]C[5a,6a]C[6a])	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,5a]){1|H<1>,1|N<3>,4|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])2{2|N<3>,4|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,6a]S[5a])(N[5a]C[5a,6a]C[6a]){7|C<3>}	114.1330	0.052	2	114.1330	0.003	2	113.9242	0.155	9	113.0101	14.612	137	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:N[5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])2	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,6a]S[5a])(N[5a]C[5a,6a]C)	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,5a]){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])2{1|N<3>,1|S<2>,4|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,6a]S[5a])(N[5a]C[5a,6a]C){4|C<3>}	112.9660	0.000	1	112.9660	0.000	1	113.9242	0.155	9	113.0101	14.612	137	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a,6a]C[5a,6a]2)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(N[5a]C[5a,6a]C)(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a,6a]C[5a,6a]2)(S[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(N[5a]C[5a,6a]C)(C[5a]C[5a]H){1|H<1>,2|C<3>}	111.2038	0.288	5	111.2038	0.083	5	111.0321	0.132	9	113.0101	14.612	137	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a,6a]C[5a,6a]2)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(N[5a]C[5a,6a]H)(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a,6a]C[5a,6a]2)(S[5a]C[5a]){1|N<2>,2|C<3>,3|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(N[5a]C[5a,6a]H)(C[5a]C[5a]H){1|H<1>,2|C<3>}	110.8175	0.361	4	110.8175	0.130	4	111.0321	0.132	9	113.0101	14.612	137	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5,5a]-3:	C[5,5a]-3:C[5a,6a]-3:C[5a,5a]-3:	C[5a,5a](C[5a,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C)(S[5a]C[5,5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5,5a]C[5,5a]C[5])	C[5a,5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])	C[5a,5a](C[5a,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C)(S[5a]C[5,5a]){4|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5,5a]C[5,5a]C[5]){2|C<2>,4|C<3>}	C[5a,5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a]){1|C<2>,1|H<1>,5|C<3>}	113.5090	0.000	2	113.5090	0.000	2	113.5090	0.000	2	113.0101	14.612	137	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:N[5a,6]-3:	C[5a,5a](C[5a,5a]C[5a,5a]N[5a,6])(C[5a]C[5a,6]H)(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])2	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(N[5a,6]C[5a,6]B[6])	C[5a,5a](C[5a,5a]C[5a,5a]N[5a,6])(C[5a]C[5a,6]H)(S[5a]C[5a,5a]){1|B<4>,1|S<2>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])2{1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(N[5a,6]C[5a,6]B[6]){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	112.6650	0.709	2	112.6650	0.502	2	112.6650	0.502	2	113.0101	14.612	137	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[5a,5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a,6a]O)(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a,6a]O)(S[5a]C[5a,5a]){1|S<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2){1|O<1>,1|S<2>,4|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a]){1|H<1>,1|O<1>,4|C<3>}	113.7410	0.000	2	113.7410	0.000	2	114.5457	0.425	6	113.0101	14.612	137	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[5a,5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a,6a]O)(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])2	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a,6a]O)(S[5a]C[5a,5a]){4|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])2{2|O<1>,4|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a]){1|H<1>,1|O<1>,5|C<3>}	114.9480	0.246	4	114.9480	0.060	4	114.5457	0.425	6	113.0101	14.612	137	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-3:	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]C[6a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a])	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]C[6a])(S[5a]C[5a]){1|H<1>,5|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a]){1|N<3>,5|C<3>}	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C[6a])(N[5a]C[5a]H){5|C<3>}	110.5120	0.102	2	110.5120	0.010	2	110.8356	0.879	11	113.0101	14.612	137	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-3:	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]C[6a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a])	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]C[6a])(S[5a]C[5a]){2|H<1>,4|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){3|C<3>}	110.2830	0.000	1	110.2830	0.000	1	110.8356	0.879	11	113.0101	14.612	137	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-3:	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,2|H<1>}	112.1737	0.313	3	112.1737	0.098	3	110.8356	0.879	11	113.0101	14.612	137	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-3:	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C){1|C<3>,1|N<3>,2|H<1>}	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,2|H<1>}	111.1850	0.000	1	111.1850	0.000	1	110.8356	0.879	11	113.0101	14.612	137	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-3:	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a])	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,2|H<1>}	110.0595	0.231	2	110.0595	0.053	2	110.8356	0.879	11	113.0101	14.612	137	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-3:	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,3|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,2|H<1>}	110.0300	0.136	2	110.0300	0.018	2	110.8356	0.879	11	113.0101	14.612	137	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:N[5a,6]-3:C[5a]-3:	C[5a,5a](C[5a,5a]N[5a,6]C[5a])(C[5a]C[5a,6]C[6a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a])	C[5a,5a](C[5a,5a]C[5a]S[5a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a])	C[5a,5a](C[5a,5a]N[5a,6]C[5a])(C[5a]C[5a,6]C[6a])(S[5a]C[5a]){1|B<4>,5|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a]){1|N<3>,5|C<3>}	C[5a,5a](C[5a,5a]C[5a]S[5a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a]){1|N<3>,2|F<1>,5|C<3>}	111.6235	0.276	2	111.6235	0.076	2	111.6235	0.076	2	113.0101	14.612	137	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a,5a]C[6a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a])	C[5a,5a](N[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a,5a]C[6a])(S[5a]C[5a]){1|H<1>,5|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[5a,5a](N[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H){5|C<3>}	110.2190	0.000	1	110.2190	0.000	1	110.2190	0.000	1	113.0101	14.612	137	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:N[5a,6]-3:S[5a]-2:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a,6]C[5a,6]B[6])(S[5a]C[5a,6a])	S[5a](C[5a,5a]C[5a,5a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a,6]S[5a])(C[5a]C[5a,6]H)	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a,6]C[5a,6]B[6])(S[5a]C[5a,6a]){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a]){1|B<4>,1|H<1>,4|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a,6]S[5a])(C[5a]C[5a,6]H){1|B<4>,1|H<1>,3|C<3>}	114.9980	0.277	3	114.9980	0.077	3	114.9980	0.077	3	113.0101	14.612	137	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:N[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]2)(N[5a]C[5a,5a]H)(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,5a]S[5a])	C[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a,5a]C[5a,5a]2)2	C[5a,5a](C[5a,5a]C[5a,5a]2)(N[5a]C[5a,5a]H)(S[5a]C[5a,5a]){2|C<3>,2|S<2>}	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,5a]S[5a]){1|H<1>,4|C<3>}	C[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a,5a]C[5a,5a]2)2{1|H<1>,2|S<2>,4|C<3>}	116.5140	0.000	1	116.5140	0.000	1	116.5140	0.000	1	113.0101	14.612	137	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:N[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[5a,5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6a])(N[5a]C[5a,5a]C)(S[5a]C[5a,6a])	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]N[5a]S[5a])	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6a])(N[5a]C[5a,5a]C)(S[5a]C[5a,6a]){1|S<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]N[5a]S[5a]){1|S<2>,6|C<3>}	115.9783	0.773	4	115.9783	0.597	4	115.5183	0.891	6	113.0101	14.612	137	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:N[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[5a,5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6a])(N[5a]C[5a,5a]C)(S[5a]C[5a,6a])	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6a])(N[5a]C[5a,5a]C)(S[5a]C[5a,6a]){1|S<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a]){1|C<4>,1|H<1>,4|C<3>}	114.8510	0.000	1	114.8510	0.000	1	115.5183	0.891	6	113.0101	14.612	137	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:N[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[5a,5a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6a])(N[5a]C[5a,5a]C[6a])(S[5a]C[5a,6a])	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6a])(N[5a]C[5a,5a]C[6a])(S[5a]C[5a,6a]){1|S<2>,5|C<3>}	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a]){1|H<1>,5|C<3>}	114.3460	0.000	1	114.3460	0.000	1	115.5183	0.891	6	113.0101	14.612	137	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:N[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(S[5a]C[5a]){2|C<3>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	113.4520	0.465	2	113.4520	0.216	2	113.4520	0.216	2	113.0101	14.612	137	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:N[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a]2)(N[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)2	C[5a,5a](C[5a,5a]C[5a]2)(N[5a]C[5a]C)(S[5a]C[5a]){1|C<3>,3|H<1>}	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)2{1|H<1>,2|C<3>}	114.8130	0.000	1	114.8130	0.000	1	114.8130	0.000	1	113.0101	14.612	137	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:N[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]C)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a])	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(S[5a]C[5a]){1|C<4>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]C){1|C<4>,3|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a]){1|H<1>,2|C<4>,4|C<3>}	114.0070	0.000	1	114.0070	0.000	1	114.2490	0.174	10	113.0101	14.612	137	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:N[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]C)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(S[5a]C[5a]){1|H<1>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	114.7665	0.250	2	114.7453	0.032	3	114.2490	0.174	10	113.0101	14.612	137	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:N[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]C)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(S[5a]C[5a]){1|H<1>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H){1|H<1>,4|C<3>}	114.7030	0.000	1	114.7453	0.032	3	114.2490	0.174	10	113.0101	14.612	137	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:N[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]C[6a])	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(S[5a]C[5a]){1|H<1>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	113.9260	0.000	1	113.9260	0.000	1	114.2490	0.174	10	113.0101	14.612	137	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:N[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a])	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(S[5a]C[5a]){1|H<1>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]H){1|C<4>,3|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	113.7510	0.000	1	113.7510	0.000	1	114.2490	0.174	10	113.0101	14.612	137	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:N[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]N)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a])	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(S[5a]C[5a]){1|N<3>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]N){1|C<4>,3|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	114.4980	0.000	1	114.4980	0.000	1	114.2490	0.174	10	113.0101	14.612	137	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:N[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]C)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a])	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)(S[5a]C[5a]){4|C<3>}	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a]){2|H<1>,5|C<3>}	114.0240	0.265	3	114.0240	0.070	3	114.2490	0.174	10	113.0101	14.612	137	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5,5a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5a,5a]-3:	C[5a,5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,5a]C[5a,6a]C[5,5a])(S[5a]C[5,5a])	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5,5a]C[5,5a]C[5,6a])	C[5a,5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6a])(C[5a,5a]C[5a,6a]S[5a])	C[5a,5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,5a]C[5a,6a]C[5,5a])(S[5a]C[5,5a]){1|H<1>,5|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5,5a]C[5,5a]C[5,6a]){6|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6a])(C[5a,5a]C[5a,6a]S[5a]){1|H<1>,6|C<3>}	112.9320	0.000	1	112.9320	0.000	1	112.9320	0.000	1	113.0101	14.612	137	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]2)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]C)	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a]C[5a,6a]N)(C[5a]C[5a]H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]2)(S[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a]C[5a,6a]N)(C[5a]C[5a]H){1|C<4>,2|C<3>}	111.5010	0.000	1	111.5010	0.000	1	111.7147	0.025	4	113.0101	14.612	137	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]2)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]C)	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a]C[5a,6a]O)(C[5a]C[5a]H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]2)(S[5a]C[5a]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a]C[5a,6a]O)(C[5a]C[5a]H){1|C<4>,2|C<3>}	111.6880	0.000	1	111.6880	0.000	1	111.7147	0.025	4	113.0101	14.612	137	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]2)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]2)(S[5a]C[5a]){3|C<3>,3|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,4|C<3>}	111.8350	0.000	2	111.8350	0.000	2	111.7147	0.025	4	113.0101	14.612	137	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(N[5a]C[5a,6a]C)(C[5a]C[5a]H)	C[5a,5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(N[5a]C[5a,6a]C)(C[5a]C[5a]H){1|H<1>,2|C<3>}	111.0555	0.217	2	111.0555	0.047	2	110.9740	0.043	3	113.0101	14.612	137	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]C[6a])	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(N[5a]C[5a,6a]C)(C[5a]C[5a]H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(N[5a]C[5a,6a]C)(C[5a]C[5a]H){3|C<3>}	110.8110	0.000	1	110.8110	0.000	1	110.9740	0.043	3	113.0101	14.612	137	113.0197	11.452	964	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,5a]-3:C[5a,6a]-3:B[6a]-3:	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]B[6a])(S[5a]C[5a,6a])	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a,6a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a,6a]S[5a])(B[6a]C[6a]N[6a])	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]B[6a])(S[5a]C[5a,6a]){1|B<3>,1|N<3>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a,6a]){1|S<2>,2|B<3>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a,6a]S[5a])(B[6a]C[6a]N[6a]){1|H<1>,6|C<3>}	133.8410	0.000	1	133.8410	0.000	1	133.8410	0.000	1	133.1449	0.245	37	133.1449	0.245	37	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H){1|H<1>,4|C<3>}	132.9393	0.911	3	132.9393	0.831	3	133.1256	0.238	36	133.1449	0.245	37	133.1449	0.245	37	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	133.2310	0.364	4	133.1425	0.205	33	133.1256	0.238	36	133.1449	0.245	37	133.1449	0.245	37	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	133.1303	0.467	29	133.1425	0.205	33	133.1256	0.238	36	133.1449	0.245	37	133.1449	0.245	37	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:Br-1:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]Br)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]S[5a])(Br)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]Br)(S[5a]C[5a]){1|Br<1>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2){2|Br<1>,2|C<3>,2|S<2>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]S[5a])(Br){1|S<2>,3|C<3>}	133.8850	0.000	1	133.8850	0.000	1	133.8850	0.000	1	134.8665	1.623	10	134.7666	1.154	14	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]S[5a])(H)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2){2|C<3>,2|H<1>,2|S<2>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]S[5a])(H){1|S<2>,3|C<3>}	133.5780	0.000	1	133.5780	0.000	1	134.9756	1.692	9	134.8665	1.623	10	134.7666	1.154	14	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(H)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,2|C<2>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(H){2|C<3>}	132.8760	0.000	1	132.8760	0.000	1	134.9756	1.692	9	134.8665	1.623	10	134.7666	1.154	14	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a])	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[6a]S[5a])(H)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a]){1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[6a]S[5a])(H){4|C<3>}	134.0870	0.000	1	134.0870	0.000	1	134.9756	1.692	9	134.8665	1.623	10	134.7666	1.154	14	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(H)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){3|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(H){2|C<3>}	135.7065	0.797	6	135.7065	0.635	6	134.9756	1.692	9	134.8665	1.623	10	134.7666	1.154	14	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C-3:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]S[5a])(COO)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2){2|S<2>,4|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]S[5a])(COO){1|S<2>,3|C<3>}	134.5150	0.000	1	134.5150	0.000	1	134.5700	0.006	2	134.5168	0.015	4	134.7666	1.154	14	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C-3:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(CCrO)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C){1|S<2>,3|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(CCrO){2|C<3>}	134.6250	0.000	1	134.6250	0.000	1	134.5700	0.006	2	134.5168	0.015	4	134.7666	1.154	14	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C[6a])(S[5a]C[5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a])	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C[6a])(S[5a]C[5a]){5|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a]){1|S<2>,5|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	134.4635	0.169	2	134.4635	0.029	2	134.4635	0.029	2	134.5168	0.015	4	134.7666	1.154	14	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6,6]	S[5a]	C[5a,6,6]	3:4:2:	3:3:	3:4:3:	C[5a,6,6]-3:C[3x6]-4:S[5a]-2:	C[5a,6,6]-3:C[5a]-3:	C[5a,6,6]-3:C[3x6]-4:C[5a]-3:	C[5a,6,6](C[5a,6,6]C[3x6]C[5a])(C[3x6]C[6,6]2H)(S[5a]C[5a])	S[5a](C[5a,6,6]C[5a,6,6]C[3x6])(C[5a]C[5a]2)	C[5a,6,6](C[5a,6,6]C[3x6]S[5a])(C[3x6]C[6,6]2H)(C[5a]C[5a]H)	C[5a,6,6](C[5a,6,6]C[3x6]C[5a])(C[3x6]C[6,6]2H)(S[5a]C[5a]){1|C<3>,2|C<4>,6|H<1>}	S[5a](C[5a,6,6]C[5a,6,6]C[3x6])(C[5a]C[5a]2){1|C<3>,1|S<2>,2|H<1>,3|C<4>}	C[5a,6,6](C[5a,6,6]C[3x6]S[5a])(C[3x6]C[6,6]2H)(C[5a]C[5a]H){1|C<3>,2|C<4>,5|H<1>}	113.0670	0.000	1	113.0670	0.000	1	113.0670	0.000	1	113.0670	0.000	1	113.0670	0.000	1	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6,6]	3:4:2:	3:3:	4:3:3:	C[5a,6,6]-3:C[6]-4:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[6,6]-4:C[5a,6]-3:C[5a,6]-3:	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6]HH)(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6,6]C[6])(C[5a]C[5a,6]H)	C[5a,6,6](C[6,6]N[5a,6]C[6]H)(C[5a,6]C[5a]C[6])(C[5a,6]S[5a]C[6])	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6]HH)(S[5a]C[5a]){1|N<3>,2|C<4>,4|H<1>}	S[5a](C[5a,6]C[5a,6,6]C[6])(C[5a]C[5a,6]H){2|H<1>,3|C<4>}	C[5a,6,6](C[6,6]N[5a,6]C[6]H)(C[5a,6]C[5a]C[6])(C[5a,6]S[5a]C[6]){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	110.3580	0.000	1	110.3580	0.000	1	110.3580	0.000	1	110.3580	0.000	1	110.3580	0.000	1	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:2:2:	3:3:	3:2:2:	C[5a,6]-3:S[5a]-2:S[6]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:S[5a]-2:S[6]-2:	C[5a,6](C[5a,6]S[5a]S[6])(S[5a]C[5a])(S[6]C[6])	S[5a](C[5a,6]C[5a,6]S[6])(C[5a]S[5a]O)	C[5a,6](C[5a,6]S[5a]S[6])(S[5a]C[5a])(S[6]C[6])	C[5a,6](C[5a,6]S[5a]S[6])(S[5a]C[5a])(S[6]C[6]){1|O<1>,2|C<3>}	S[5a](C[5a,6]C[5a,6]S[6])(C[5a]S[5a]O){1|C<3>,1|S<2>}	C[5a,6](C[5a,6]S[5a]S[6])(S[5a]C[5a])(S[6]C[6]){1|O<1>,2|C<3>}	117.8070	0.431	2	117.8070	0.186	2	117.8070	0.186	2	117.8070	0.186	2	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:2:2:	3:3:	3:3:2:	C[5a,6]-3:S[5a]-2:S[6]-2:	C[5a,6]-3:C[5a]-3:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	C[5a,6](C[5a,6]C[6,6a]N[5a])(S[5a]C[5a])(S[6]S[6])	S[5a](C[5a,6]C[5a,6]S[6])(C[5a]C[6a]N[5a])	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]S[5a]S[6])(N[5a]C[5a])	C[5a,6](C[5a,6]C[6,6a]N[5a])(S[5a]C[5a])(S[6]S[6]){3|C<3>}	S[5a](C[5a,6]C[5a,6]S[6])(C[5a]C[6a]N[5a]){1|S<2>,3|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]S[5a]S[6])(N[5a]C[5a]){1|H<1>,1|S<2>,3|C<3>}	110.8270	0.000	1	110.8270	0.000	1	110.8270	0.000	1	112.2290	1.760	3	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:2:2:	3:3:	3:3:2:	C[5a,6]-3:S[5a]-2:S[6]-2:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:S[6]-2:	C[5a,6](C[5a,6]C[5a,6a]S[6])(S[5a]C[5a,6a])(S[6]C[6])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]S[6])(S[6]C[6])	C[5a,6](C[5a,6]C[5a,6a]S[6])(S[5a]C[5a,6a])(S[6]C[6]){1|C<4>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6]){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]S[6])(S[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	112.9300	0.757	2	112.9300	0.572	2	112.9300	0.572	2	112.2290	1.760	3	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:2:2:	3:3:	3:3:3:	C[5a,6]-3:S[5a]-2:C[6]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]C[6])	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]C[6]){1|C<4>,2|C<3>,2|H<1>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C){3|C<3>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	112.0600	0.000	1	112.0600	0.000	1	112.0600	0.000	1	112.0913	0.961	12	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:2:2:	3:3:	3:3:3:	C[5a,6]-3:S[5a]-2:C[6]-2:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6]-3:C[5a,6a]-3:C[5a,6]-3:	C[5a,6](C[5a,6]C[5a,6a]C[5a,6])(S[5a]C[5a,6a])(C[6]C[6])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])	C[5a,6](C[5a,6]C[5a,6a]C[5a,6])(C[5a,6a]C[5a,6a]2)(C[5a,6]S[5a]C[6])	C[5a,6](C[5a,6]C[5a,6a]C[5a,6])(S[5a]C[5a,6a])(C[6]C[6]){4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6]){1|C<2>,1|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[5a,6])(C[5a,6a]C[5a,6a]2)(C[5a,6]S[5a]C[6]){1|C<2>,1|S<2>,5|C<3>}	112.3560	0.000	1	112.3560	0.000	1	112.3560	0.000	1	112.0913	0.961	12	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:2:2:	3:3:	3:3:3:	C[5a,6]-3:S[5a]-2:P[6]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](C[5a,6]C[5a,6]C[5a])(S[5a]C[5a])(P[6]C[6])	S[5a](C[5a,6]C[5a,6]P[6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a,6]S[5a]P[6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a,6]C[5a])(S[5a]C[5a])(P[6]C[6]){2|H<1>,3|C<3>}	S[5a](C[5a,6]C[5a,6]P[6])(C[5a]C[5a]H){1|H<1>,2|C<3>}	C[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a,6]S[5a]P[6])(C[5a]C[5a]H){1|S<2>,2|C<3>,2|H<1>}	110.0950	0.000	1	110.0950	0.000	1	110.0950	0.000	1	112.0913	0.961	12	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:2:2:	3:3:	3:3:3:	C[5a,6]-3:S[5a]-2:S[6]-2:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:N[6]-3:	C[5a,6](C[5a,6]C[5a,6a]N[6])(S[5a]C[5a,6a])(S[6]C[5a,6])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]S[6])(N[6]C[5a,6]C[6a])	C[5a,6](C[5a,6]C[5a,6a]N[6])(S[5a]C[5a,6a])(S[6]C[5a,6]){1|S<2>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6]){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]S[6])(N[6]C[5a,6]C[6a]){1|H<1>,6|C<3>}	113.0700	0.453	2	113.2817	0.237	3	113.2817	0.237	3	112.0913	0.961	12	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:2:2:	3:3:	3:3:3:	C[5a,6]-3:S[5a]-2:S[6]-2:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:N[6]-3:	C[5a,6](C[5a,6]C[5a,6a]N[6])(S[5a]C[5a,6a])(S[6]C[5a,6])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]S[6])(N[6]C[5a,6]C[6a])	C[5a,6](C[5a,6]C[5a,6a]N[6])(S[5a]C[5a,6a])(S[6]C[5a,6]){5|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6]){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]S[6])(N[6]C[5a,6]C[6a]){1|H<1>,1|S<2>,5|C<3>}	113.7050	0.000	1	113.2817	0.237	3	113.2817	0.237	3	112.0913	0.961	12	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:2:2:	3:3:	3:3:3:	C[5a,6]-3:S[6]-2:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[6]-3:C[5a]-3:	C[5a,6](C[5a,6]C[5a]N[6])(S[6]C[5a,6])(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]S[6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]S[5a]S[6])(N[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a]N[6])(S[6]C[5a,6])(S[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	S[5a](C[5a,6]C[5a,6]S[6])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>}	C[5a,6](C[5a,6]S[5a]S[6])(N[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,4|C<3>}	111.7900	0.499	6	111.7900	0.249	6	111.7900	0.249	6	112.0913	0.961	12	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:2:2:	3:3:	3:3:4:	C[5a,6]-3:S[5a]-2:O[6]-2:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(S[5a]C[5a,6a])(O[6]C[6])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]O[6])(C[6]C[6a]C[6]H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(S[5a]C[5a,6a])(O[6]C[6]){1|C<4>,1|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6]){1|C<4>,1|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]O[6])(C[6]C[6a]C[6]H){3|H<1>,5|C<3>}	115.9205	0.182	2	115.9205	0.033	2	115.9205	0.033	2	115.1943	1.598	3	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:2:2:	3:3:	3:3:4:	C[5a,6]-3:S[5a]-2:S[6]-2:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(S[5a]C[5a,6a])(S[6]C[6])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]S[6])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(S[5a]C[5a,6a])(S[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6]){1|H<1>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]S[6])(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	113.7420	0.000	1	113.7420	0.000	1	113.7420	0.000	1	115.1943	1.598	3	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:2:3:	3:3:	3:3:2:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:O[6]-2:	C[5a,6](C[5a,6]C[5a,6a]O[6])(S[5a]C[5a,6a])(C[6]C[6,6a]S)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(O[6]C[6,6a])	C[5a,6](C[5a,6]C[5a,6a]O[6])(S[5a]C[5a,6a])(C[6]C[6,6a]S){4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6]){1|H<1>,1|O<2>,1|S<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(O[6]C[6,6a]){1|H<1>,1|S<1>,4|C<3>}	111.4290	0.000	1	111.4290	0.000	1	111.9887	0.164	4	111.7426	0.426	5	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:2:3:	3:3:	3:3:2:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:O[6]-2:	C[5a,6](C[5a,6]C[5a,6a]O[6])(S[5a]C[5a,6a])(C[6]C[6]C)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(O[6]C[6])	C[5a,6](C[5a,6]C[5a,6a]O[6])(S[5a]C[5a,6a])(C[6]C[6]C){1|C<4>,1|H<1>,2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6]){1|H<1>,1|O<2>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(O[6]C[6]){1|C<4>,1|H<1>,5|C<3>}	111.9940	0.000	1	112.1753	0.037	3	111.9887	0.164	4	111.7426	0.426	5	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:2:3:	3:3:	3:3:2:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:O[6]-2:	C[5a,6](C[5a,6]C[5a,6a]O[6])(S[5a]C[5a,6a])(C[6]C[6]C)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(O[6]C[6])	C[5a,6](C[5a,6]C[5a,6a]O[6])(S[5a]C[5a,6a])(C[6]C[6]C){1|C<4>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6]){1|H<1>,1|O<2>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(O[6]C[6]){1|C<4>,2|H<1>,4|C<3>}	112.2660	0.154	2	112.1753	0.037	3	111.9887	0.164	4	111.7426	0.426	5	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:2:3:	3:3:	3:3:2:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:S[6]-2:	C[5a,6](C[5a,6]C[5a,6a]S[6])(S[5a]C[5a,6a])(C[6]C[6,6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(S[6]C[6,6a])	C[5a,6](C[5a,6]C[5a,6a]S[6])(S[5a]C[5a,6a])(C[6]C[6,6a]H){4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6]){1|S<2>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(S[6]C[6,6a]){2|H<1>,4|C<3>}	110.7580	0.000	1	110.7580	0.000	1	110.7580	0.000	1	111.7426	0.426	5	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:2:3:	3:3:	3:3:3:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](C[5a,6]C[5a,6]C[5a])(S[5a]C[5a])(C[6]C[6]O)	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a,6]S[5a]C[6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a,6]C[5a])(S[5a]C[5a])(C[6]C[6]O){1|O<1>,2|C<3>,2|H<1>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){1|H<1>,1|O<1>,2|C<3>}	C[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a,6]S[5a]C[6])(C[5a]C[5a]H){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	111.9425	0.221	4	111.9425	0.049	4	111.9425	0.049	4	112.2072	0.850	13	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:2:3:	3:3:	3:3:3:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]C[6]N)	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O)	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]C[6]N){1|C<3>,1|H<1>,1|N<3>,2|O<1>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O){1|H<1>,1|N<2>,2|C<3>}	111.0820	0.000	1	111.0820	0.000	1	111.7410	0.458	5	112.2072	0.850	13	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:2:3:	3:3:	3:3:3:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]C[6]O)	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O)	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]C[6]O){1|C<3>,1|H<1>,1|N<3>,2|O<1>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a]){1|H<1>,1|O<1>,4|C<3>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O){1|H<1>,1|O<1>,2|C<3>}	111.0160	0.000	1	111.0160	0.000	1	111.7410	0.458	5	112.2072	0.850	13	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:2:3:	3:3:	3:3:3:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]N[6]S)	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]Br)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]N[6]S){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]Br){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Br<1>,1|H<1>,1|N<3>,1|S<1>}	112.5950	0.000	1	112.5950	0.000	1	111.7410	0.458	5	112.2072	0.850	13	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:2:3:	3:3:	3:3:3:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]N[6]S)	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]N[6]S){1|C<3>,1|C<4>,3|H<1>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H){1|N<3>,1|S<1>,2|H<1>}	111.9660	0.000	1	111.9660	0.000	1	111.7410	0.458	5	112.2072	0.850	13	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:2:3:	3:3:	3:3:3:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]N[6]S)	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]I)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]N[6]S){1|C<3>,1|C<4>,1|I<1>,2|H<1>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]I){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H){1|H<1>,1|I<1>,1|N<3>,1|S<1>}	112.0460	0.000	1	112.0460	0.000	1	111.7410	0.458	5	112.2072	0.850	13	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:2:3:	3:3:	3:3:3:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]C[6]H)	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]S[5a]C[6])(C[6]C[6a]N[6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]C[6]H){1|C<3>,1|N<3>,3|H<1>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[6]C[6a]N[6])(C[5a]C[5a]H){1|Ir<6>,2|H<1>,3|C<3>}	112.0830	0.290	2	112.0830	0.084	2	112.0830	0.084	2	112.2072	0.850	13	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:2:3:	3:3:	3:3:3:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](C[5a,6]C[6,6a]C[5a])(S[5a]C[5a])(C[6]C[6]O)	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]S)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]S[5a]C[6])(C[5a]C[5a]C)	C[5a,6](C[5a,6]C[6,6a]C[5a])(S[5a]C[5a])(C[6]C[6]O){1|O<1>,1|S<2>,3|C<3>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]S){1|O<1>,3|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]S[5a]C[6])(C[5a]C[5a]C){1|H<1>,1|O<1>,1|S<2>,3|C<3>}	113.7780	0.000	1	113.7780	0.000	1	113.7780	0.000	1	112.2072	0.850	13	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:2:3:	3:3:	3:3:3:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6](C[5a,6]C[5a,6a]C[6])(S[5a]C[5a,6a])(C[6]N[6]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(S[5a]C[5a,6a])(C[6]N[6]H){1|C<4>,1|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6]){2|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	114.2740	0.000	1	114.2740	0.000	1	114.2740	0.000	1	112.2072	0.850	13	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:2:3:	3:3:	3:3:4:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]C[6]O)	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]N)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]C[6]O){1|C<2>,1|C<4>,1|N<3>,4|H<1>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]N){1|C<2>,1|O<1>,2|C<4>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	112.3380	0.000	1	112.3380	0.000	1	112.3380	0.000	1	110.7052	0.451	14	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:2:3:	3:3:	3:3:4:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:S[6]-4:	C[5a,6](C[5a,6]C[5a]S[6])(S[5a]C[5a])(C[6]C[6]O)	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]Cl)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(S[6]N[6]OO)	C[5a,6](C[5a,6]C[5a]S[6])(S[5a]C[5a])(C[6]C[6]O){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>,2|O<1>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]Cl){1|C<3>,1|H<1>,1|O<1>,1|S<4>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(S[6]N[6]OO){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>}	110.3383	0.336	3	110.7868	0.434	5	110.5796	0.249	13	110.7052	0.451	14	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:2:3:	3:3:	3:3:4:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:S[6]-4:	C[5a,6](C[5a,6]C[5a]S[6])(S[5a]C[5a])(C[6]C[6]O)	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]Cl)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(S[6]N[6]OO)	C[5a,6](C[5a,6]C[5a]S[6])(S[5a]C[5a])(C[6]C[6]O){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>,2|O<1>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]Cl){1|C<3>,1|H<1>,1|O<2>,1|S<4>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(S[6]N[6]OO){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>}	111.4595	0.063	2	110.7868	0.434	5	110.5796	0.249	13	110.7052	0.451	14	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:2:3:	3:3:	3:3:4:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:S[6]-4:	C[5a,6](C[5a,6]C[5a]S[6])(S[5a]C[5a])(C[6]C[6]O)	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(S[6]N[6]OO)	C[5a,6](C[5a,6]C[5a]S[6])(S[5a]C[5a])(C[6]C[6]O){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|O<1>,1|S<4>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(S[6]N[6]OO){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	110.3963	0.351	7	110.4501	0.129	8	110.5796	0.249	13	110.7052	0.451	14	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:2:3:	3:3:	3:3:4:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:S[6]-4:	C[5a,6](C[5a,6]C[5a]S[6])(S[5a]C[5a])(C[6]C[6]O)	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(S[6]N[6]OO)	C[5a,6](C[5a,6]C[5a]S[6])(S[5a]C[5a])(C[6]C[6]O){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|O<2>,1|S<4>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(S[6]N[6]OO){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	110.8270	0.000	1	110.4501	0.129	8	110.5796	0.249	13	110.7052	0.451	14	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:2:3:	3:3:	3:4:3:	C[5a,6]-3:S[5a]-2:N[6]-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(N[6]C[6]H)	S[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]C)	C[5a,6](C[5a,6]S[5a]N[6])(C[6]C[6a]C[6]H)(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	S[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	C[5a,6](C[5a,6]S[5a]N[6])(C[6]C[6a]C[6]H)(C[5a]C[5a]H){1|H<1>,5|C<3>}	113.2240	0.000	1	113.2240	0.000	1	113.2240	0.000	1	113.2240	0.000	1	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:2:4:	3:3:	3:3:2:	C[5a,6]-3:S[5a]-2:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:S[6]-2:	C[5a,6](C[5a,6]C[5a,6a]S[6])(S[5a]C[5a,6a])(C[6]C[6]HH)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(S[6]C[6])	C[5a,6](C[5a,6]C[5a,6a]S[6])(S[5a]C[5a,6a])(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6]){1|C<4>,1|S<2>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(S[6]C[6]){1|C<4>,2|C<3>,5|H<1>}	112.4510	0.000	1	112.4510	0.000	1	112.4510	0.000	1	112.4510	0.000	1	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:2:4:	3:3:	3:3:4:	C[5a,6]-3:S[5a]-2:C[6]-4:	C[5a,5a]-3:C[5a,6]-3:	N[5a,5a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[5a,6]N[5a,5a]C[6])(S[5a]C[5a,5a])(C[6]C[6]HH)	S[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6]C[5a,6]C[6])	C[5a,6](N[5a,5a]C[5a,5a]C[5a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH)	C[5a,6](C[5a,6]N[5a,5a]C[6])(S[5a]C[5a,5a])(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	S[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6]C[5a,6]C[6]){2|C<3>,2|C<4>,2|H<1>}	C[5a,6](N[5a,5a]C[5a,5a]C[5a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH){1|Br<1>,1|C<3>,1|C<4>,1|N<2>,4|H<1>}	113.3020	0.000	1	113.3020	0.000	1	113.3020	0.000	1	113.0176	0.262	33	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:2:4:	3:3:	3:3:4:	C[5a,6]-3:S[5a]-2:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(S[5a]C[5a,6a])(C[6]C[5,6]HH)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]N[5,6]HH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(S[5a]C[5a,6a])(C[6]C[5,6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6]){2|C<3>,2|C<4>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]N[5,6]HH){1|C<4>,3|C<3>,3|H<1>}	112.7285	0.385	2	112.7285	0.149	2	113.0087	0.268	32	113.0176	0.262	33	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:2:4:	3:3:	3:3:4:	C[5a,6]-3:S[5a]-2:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(S[5a]C[5a,6a])(C[6]C[5,6]HH)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]N[5,6]HO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(S[5a]C[5a,6a])(C[6]C[5,6]HH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6]){2|C<3>,2|C<4>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]N[5,6]HO){1|C<4>,3|C<3>,3|H<1>}	112.3120	0.000	1	112.3120	0.000	1	113.0087	0.268	32	113.0176	0.262	33	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:2:4:	3:3:	3:3:4:	C[5a,6]-3:S[5a]-2:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(S[5a]C[5a,6a])(C[6]C[6]HH)	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[6])	C[5a,6](C[5a,6a]C[5a,6a]2)(C[5a,6]S[5a]C[6])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(S[5a]C[5a,6a])(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[6]){2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]2)(C[5a,6]S[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,2|N<2>,4|H<1>}	113.3170	0.000	1	113.3170	0.000	1	113.0087	0.268	32	113.0176	0.262	33	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:2:4:	3:3:	3:3:4:	C[5a,6]-3:S[5a]-2:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(S[5a]C[5a,6a])(C[6]C[6]HH)	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(S[5a]C[5a,6a])(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[6]){2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH){1|C<3>,1|C<4>,2|N<2>,4|H<1>}	113.0450	0.000	1	113.0450	0.000	1	113.0087	0.268	32	113.0176	0.262	33	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:2:4:	3:3:	3:3:4:	C[5a,6]-3:S[5a]-2:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(S[5a]C[5a,6a])(C[6]C[6]HH)	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(S[5a]C[5a,6a])(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[6]){2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<2>,1|N<3>,1|O<1>,4|H<1>}	112.6195	0.168	8	113.1083	0.389	15	113.0087	0.268	32	113.0176	0.262	33	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:2:4:	3:3:	3:3:4:	C[5a,6]-3:S[5a]-2:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(S[5a]C[5a,6a])(C[6]C[6]HH)	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(S[5a]C[5a,6a])(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[6]){2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,2|N<2>,4|H<1>}	113.7340	0.263	2	113.1083	0.389	15	113.0087	0.268	32	113.0176	0.262	33	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:2:4:	3:3:	3:3:4:	C[5a,6]-3:S[5a]-2:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(S[5a]C[5a,6a])(C[6]C[6]HH)	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(S[5a]C[5a,6a])(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[6]){2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<2>,2|N<2>,4|H<1>}	113.4395	0.298	4	113.1083	0.389	15	113.0087	0.268	32	113.0176	0.262	33	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:2:4:	3:3:	3:3:4:	C[5a,6]-3:S[5a]-2:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(S[5a]C[5a,6a])(C[6]C[6]HH)	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(S[5a]C[5a,6a])(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[6]){2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH){2|C<4>,2|N<2>,4|H<1>}	114.4430	0.000	1	113.1083	0.389	15	113.0087	0.268	32	113.0176	0.262	33	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:2:4:	3:3:	3:3:4:	C[5a,6]-3:S[5a]-2:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(S[5a]C[5a,6a])(C[6]N[5,6]HH)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[5,6]HO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(S[5a]C[5a,6a])(C[6]N[5,6]HH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[5,6]HO){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	113.4890	0.000	1	113.4890	0.000	1	113.0087	0.268	32	113.0176	0.262	33	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:2:4:	3:3:	3:3:4:	C[5a,6]-3:S[5a]-2:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(S[5a]C[5a,6a])(C[6]N[6]HH)	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(S[5a]C[5a,6a])(C[6]N[6]HH){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[6]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH){1|N<2>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	112.6190	0.000	1	113.0007	0.158	8	113.0087	0.268	32	113.0176	0.262	33	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:2:4:	3:3:	3:3:4:	C[5a,6]-3:S[5a]-2:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(S[5a]C[5a,6a])(C[6]N[6]HH)	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(S[5a]C[5a,6a])(C[6]N[6]HH){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[6]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH){1|N<2>,1|N<3>,1|O<1>,1|S<2>,4|H<1>}	112.9750	0.000	1	113.0007	0.158	8	113.0087	0.268	32	113.0176	0.262	33	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:2:4:	3:3:	3:3:4:	C[5a,6]-3:S[5a]-2:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(S[5a]C[5a,6a])(C[6]N[6]HH)	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(S[5a]C[5a,6a])(C[6]N[6]HH){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[6]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH){1|N<2>,1|O<1>,2|N<3>,4|H<1>}	112.9094	0.205	5	113.0007	0.158	8	113.0087	0.268	32	113.0176	0.262	33	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:2:4:	3:3:	3:3:4:	C[5a,6]-3:S[5a]-2:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(S[5a]C[5a,6a])(C[6]N[6]HH)	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(S[5a]C[5a,6a])(C[6]N[6]HH){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[6]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH){1|N<3>,1|O<2>,2|N<2>,4|H<1>}	113.8650	0.000	1	113.0007	0.158	8	113.0087	0.268	32	113.0176	0.262	33	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:2:4:	3:3:	3:3:4:	C[5a,6]-3:S[5a]-2:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(S[5a]C[5a,6a])(C[6]S[6]HH)	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(S[5a]C[5a,6a])(C[6]S[6]HH){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[6]){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH){1|N<2>,1|N<3>,1|O<1>,1|S<2>,4|H<1>}	112.6757	0.273	3	112.6757	0.075	3	113.0087	0.268	32	113.0176	0.262	33	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:2:4:	3:3:	3:4:3:	C[5a,6]-3:S[5a]-2:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5,6]-4:C[5a,6]-3:	C[5a,6](C[5a,6]C[5a,6a]C[5,6])(S[5a]C[5a,6a])(C[6]C[5,6]HH)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[5a,6]S[5a]C[6])	C[5a,6](C[5a,6]C[5a,6a]C[5,6])(S[5a]C[5a,6a])(C[6]C[5,6]HH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6]){2|C<3>,2|C<4>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[5a,6]S[5a]C[6]){1|S<4>,2|C<3>,2|C<4>,5|H<1>}	112.2520	0.000	1	112.2520	0.000	1	112.2520	0.000	1	112.2520	0.000	1	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:3:2:	3:2:	3:3:2:	C[5a,6]-3:C[6]-3:S[5a]-2:	C[5a,6]-3:S[5a]-2:	C[5a,6]-3:N[6]-3:N[5a]-2:	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[5,6]F)(S[5a]S[5a])	S[5a](C[5a,6]C[5a,6]C[6])(S[5a]N[5a])	C[5a,6](C[5a,6]S[5a]C[6])(N[6]C[5,6]C)(N[5a]S[5a])	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[5,6]F)(S[5a]S[5a]){1|C<3>,1|C<4>,1|S<2>}	S[5a](C[5a,6]C[5a,6]C[6])(S[5a]N[5a]){1|C<3>,1|F<1>,1|N<3>}	C[5a,6](C[5a,6]S[5a]C[6])(N[6]C[5,6]C)(N[5a]S[5a]){1|C<3>,1|F<1>,1|N<2>}	114.7210	0.027	2	114.7210	0.001	2	113.4678	2.201	6	113.4678	2.201	6	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:3:2:	3:2:	3:3:2:	C[5a,6]-3:C[6]-3:S[5a]-2:	C[5a,6]-3:S[5a]-2:	C[5a,6]-3:N[6]-3:N[5a]-2:	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6,6]H)(S[5a]S[5a])	S[5a](C[5a,6]C[5a,6]C[6])(S[5a]N[5a])	C[5a,6](C[5a,6]S[5a]C[6])(N[6]C[6,6]C)(N[5a]S[5a])	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6,6]H)(S[5a]S[5a]){1|C<3>,1|C<4>,1|S<2>}	S[5a](C[5a,6]C[5a,6]C[6])(S[5a]N[5a]){1|C<3>,1|H<1>,1|N<3>}	C[5a,6](C[5a,6]S[5a]C[6])(N[6]C[6,6]C)(N[5a]S[5a]){1|C<3>,1|H<1>,1|N<2>}	112.8413	1.448	4	112.8413	2.098	4	113.4678	2.201	6	113.4678	2.201	6	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:2:3:	C[5a,6]-3:C[5a,6]-3:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]N[5a]C[6])(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]N[5a])	C[5a,6](C[5a,6]C[5a,6]S[5a])(N[5a]C[5a])(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]N[5a]C[6])(S[5a]C[5a]){1|N<2>,1|O<1>,3|C<3>}	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]N[5a]){2|S<2>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(N[5a]C[5a])(C[6]C[6]O){1|O<1>,1|S<2>,2|C<3>}	110.2480	0.000	1	110.2480	0.000	1	110.5820	0.939	3	110.5820	0.939	3	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:2:3:	C[5a,6]-3:C[5a,6]-3:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]N[5a]C[6])(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]2)(C[5a]N[5a]Si)	C[5a,6](C[5a,6]C[5a,6]S[5a])(N[5a]C[5a])(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]N[5a]C[6])(S[5a]C[5a]){1|Si<4>,1|N<2>,1|O<1>,2|C<3>}	S[5a](C[5a,6]C[5a,6]2)(C[5a]N[5a]Si){1|S<2>,2|C<3>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(N[5a]C[5a])(C[6]C[6]O){1|Si<4>,1|C<3>,1|O<1>,1|S<2>}	110.7490	1.308	2	110.7490	1.711	2	110.5820	0.939	3	110.5820	0.939	3	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[5,6]-3:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5,6]-3:N[5a]-2:	C[5a,6](C[5a,6]C[5,6]N[5a])(C[5,6]C[5,6]N[5])(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]C[6a]N[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[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>}	S[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]C[6a]N[5a]){1|C<4>,1|N<2>,3|C<3>}	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>}	110.0880	0.000	1	110.0880	0.000	1	110.0880	0.000	1	116.7965	66.551	19	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[5a,6]-3:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:S[5a]-2:	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[3x6]C[5a])(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]Br)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[3x6]C[5a])(S[5a]C[5a])	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[3x6]C[5a])(S[5a]C[5a]){1|Br<1>,1|C<4>,1|H<1>,2|C<3>,2|O<2>}	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]Br){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[3x6]C[5a])(S[5a]C[5a]){1|Br<1>,1|C<4>,1|H<1>,2|C<3>,2|O<2>}	127.0590	0.000	1	127.0590	0.000	1	127.1537	0.115	7	116.7965	66.551	19	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[5a,6]-3:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:S[5a]-2:	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[3x6]C[5a])(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]C)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[3x6]C[5a])(S[5a]C[5a])	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[3x6]C[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[3x6]C[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	127.4460	0.000	1	127.4460	0.000	1	127.1537	0.115	7	116.7965	66.551	19	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[5a,6]-3:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:S[5a]-2:	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[5a]C[6])(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]Si)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[5a]C[6])(S[5a]C[5a])	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[5a]C[6])(S[5a]C[5a]){1|Si<4>,1|H<1>,1|O<1>,3|C<3>}	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]Si){1|H<1>,1|S<2>,2|C<3>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[5a]C[6])(S[5a]C[5a]){1|Si<4>,1|H<1>,1|O<1>,3|C<3>}	126.7145	0.217	2	126.7145	0.047	2	127.1537	0.115	7	116.7965	66.551	19	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[5a,6]-3:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:S[5a]-2:	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]N[5a]C[6])(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]N[5a])	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]N[5a]C[6])(S[5a]C[5a])	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]N[5a]C[6])(S[5a]C[5a]){1|N<2>,1|O<1>,3|C<3>}	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]N[5a]){2|S<2>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]N[5a]C[6])(S[5a]C[5a]){1|N<2>,1|O<1>,3|C<3>}	127.3790	0.000	1	127.3790	0.000	1	127.1537	0.115	7	116.7965	66.551	19	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[5a,6]-3:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:S[5a]-2:	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]N[5a]C[6])(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]2)(C[5a]N[5a]Si)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]N[5a]C[6])(S[5a]C[5a])	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]N[5a]C[6])(S[5a]C[5a]){1|Si<4>,1|N<2>,1|O<1>,2|C<3>}	S[5a](C[5a,6]C[5a,6]2)(C[5a]N[5a]Si){1|S<2>,2|C<3>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]N[5a]C[6])(S[5a]C[5a]){1|Si<4>,1|N<2>,1|O<1>,2|C<3>}	127.3815	0.090	2	127.3815	0.008	2	127.1537	0.115	7	116.7965	66.551	19	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[5a,6]-3:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6](C[5a,6]N[5a,6,6]C[5a])(C[5a,6]C[5a]O[6])(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(O[6]B[6,6])	C[5a,6](C[5a,6]N[5a,6,6]C[5a])(C[5a,6]C[5a]O[6])(S[5a]C[5a]){1|B<4>,2|C<3>,3|H<1>}	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(O[6]B[6,6]){1|C<3>,1|F<1>,1|H<1>,2|N<3>}	110.9950	0.000	1	110.9950	0.000	1	110.9950	0.000	1	116.7965	66.551	19	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[6,6a]-3:S[5a]-2:	C[5a,6]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6]-3:S[6]-2:	C[5a,6](C[5a,6]C[5a,6a]S[6])(C[6,6a]C[6,6a]C[6a])(S[5a]C[5a,6a])	S[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]S[5a])(S[6]S[6])	C[5a,6](C[5a,6]C[5a,6a]S[6])(C[6,6a]C[6,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,1|S<2>,4|C<3>}	S[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]S[5a])(S[6]S[6]){1|H<1>,4|C<3>}	111.4783	0.528	4	111.4783	0.279	4	111.4783	0.279	4	116.7965	66.551	19	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[6]-3:S[5a]-2:	C[5a,6]-3:C[5a,6]-3:	C[5a,6]-3:C[5a,6]-3:S[6]-2:	C[5a,6](C[5a,6]C[5a,6]S[6])(C[6]C[6,6a]C)(S[5a]C[5a,6])	S[5a](C[5a,6]C[5a,6]C[6])2	C[5a,6](C[5a,6]C[5a,6]S[6])(C[5a,6]S[5a]C[6])(S[6]C[6,6a])	C[5a,6](C[5a,6]C[5a,6]S[6])(C[6]C[6,6a]C)(S[5a]C[5a,6]){1|S<2>,3|C<3>}	S[5a](C[5a,6]C[5a,6]C[6])2{2|C<2>,2|C<3>,2|S<2>}	C[5a,6](C[5a,6]C[5a,6]S[6])(C[5a,6]S[5a]C[6])(S[6]C[6,6a]){1|C<2>,4|C<3>}	109.8025	0.267	2	109.8025	0.071	2	109.8025	0.071	2	116.7965	66.551	19	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:N[6]-3:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6]-3:N[5a]-2:	C[5a,6](C[5a,6]C[6,6]N[5a])(N[6]C[6a]B[6])(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[6a]N[5a])	C[5a,6](C[5a,6]S[5a]N[6])(C[6,6]N[6,6]C[6])(N[5a]C[5a])	C[5a,6](C[5a,6]C[6,6]N[5a])(N[6]C[6a]B[6])(S[5a]C[5a]){1|N<3>,2|F<1>,4|C<3>}	S[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[6a]N[5a]){1|B<4>,1|N<2>,3|C<3>}	C[5a,6](C[5a,6]S[5a]N[6])(C[6,6]N[6,6]C[6])(N[5a]C[5a]){1|B<4>,1|H<1>,4|C<3>}	109.7840	0.000	1	109.7840	0.000	1	109.7840	0.000	1	116.7965	66.551	19	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:N[6]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:S[6]-2:	C[5a,6](C[5a,6]C[5a,6a]S[6])(N[6]C[5a,6]C[6a])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]N[6])(S[6]C[5a,6])	C[5a,6](C[5a,6]C[5a,6a]S[6])(N[6]C[5a,6]C[6a])(S[5a]C[5a,6a]){6|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[6]){1|H<1>,1|S<2>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]N[6])(S[6]C[5a,6]){1|H<1>,1|S<2>,4|C<3>}	112.0390	0.000	1	112.0390	0.000	1	112.0390	0.000	1	116.7965	66.551	19	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[5a,6]-3:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6](C[6,6a]C[3x6,6a]C[6a])(C[5a,6]C[5a]O[6])(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[6,6a]S[5a])(C[5a]C[5a]H)(O[6]C[4x6])	C[5a,6](C[6,6a]C[3x6,6a]C[6a])(C[5a,6]C[5a]O[6])(S[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	S[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H){1|H<1>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6]C[6,6a]S[5a])(C[5a]C[5a]H)(O[6]C[4x6]){1|H<1>,4|C<3>}	110.3165	0.018	2	110.3165	0.000	2	110.3165	0.000	2	116.7965	66.551	19	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:3:3:	B[6]-3:C[5a,6]-3:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6](B[6]C[5a,6]C[6a])(C[5a,6]C[5a]C[6])(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]S[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a,6](B[6]C[5a,6]C[6a])(C[5a,6]C[5a]C[6])(S[5a]C[5a]){1|S<2>,2|H<1>,4|C<3>}	S[5a](C[5a,6]C[5a,6]B[6])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a,6](C[5a,6]S[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]H){1|H<1>,5|C<3>}	110.9160	0.148	2	110.9160	0.022	2	110.9160	0.022	2	111.8971	0.814	27	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:B[6]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:B[6]-3:C[5a,6]-3:	C[5a,6](C[5a,6]C[5a,6a]B[6])(B[6]C[5a,6]C[6a])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]B[6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(B[6]C[5a,6]C[6a])(C[5a,6]S[5a]B[6])	C[5a,6](C[5a,6]C[5a,6a]B[6])(B[6]C[5a,6]C[6a])(S[5a]C[5a,6a]){7|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]B[6]){1|B<3>,1|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(B[6]C[5a,6]C[6a])(C[5a,6]S[5a]B[6]){1|H<1>,1|S<2>,6|C<3>}	112.6525	0.158	2	112.6525	0.025	2	112.6525	0.025	2	111.8971	0.814	27	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[3x6]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5,6,6]-3:C[5a,6]-3:	C[5a,6](C[5a,6]C[5,6,6]C[5a,6a])(C[3x6]C[3x6]2)(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[6,6,6a]C[5a,6a])(C[5a,6]C[5a,6]C[3x6])	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]){1|H<1>,2|C<3>,5|C<4>}	S[5a](C[5a,6a]C[6,6,6a]C[5a,6a])(C[5a,6]C[5a,6]C[3x6]){2|C<4>,4|C<3>}	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>}	112.0520	0.000	1	112.0520	0.000	1	112.0520	0.000	1	111.8971	0.814	27	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:B[6]-3:	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[5a]B[6])(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(B[6]B[6]N)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[5a]B[6])(S[5a]C[5a]){1|B<3>,1|N<3>,2|C<3>,2|H<1>}	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]H){1|B<3>,1|C<3>,1|H<1>,1|S<2>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(B[6]B[6]N){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	112.5285	0.036	2	112.5285	0.001	2	112.5285	0.001	2	111.8971	0.814	27	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[5a]C[6])(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]Br)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[5a]C[6])(S[5a]C[5a]){1|Br<1>,1|H<1>,1|O<1>,3|C<3>}	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]Br){1|H<1>,1|S<2>,2|C<3>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(C[6]C[6]O){1|Br<1>,1|C<3>,1|O<1>,1|S<2>}	111.5510	0.233	2	111.5510	0.054	2	111.7989	0.754	13	111.8971	0.814	27	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[5a]C[6])(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]C)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[5a]C[6])(S[5a]C[5a]){1|H<1>,1|O<1>,4|C<3>}	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]C){1|H<1>,1|S<2>,2|C<3>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(C[6]C[6]O){1|O<1>,1|S<2>,2|C<3>}	112.4310	0.030	2	112.4310	0.001	2	111.7989	0.754	13	111.8971	0.814	27	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[5a]C[6])(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]Cl)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[5a]C[6])(S[5a]C[5a]){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]Cl){1|H<1>,1|S<2>,2|C<3>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(C[6]C[6]O){1|Cl<1>,1|C<3>,1|O<1>,1|S<2>}	112.3970	0.246	2	112.3970	0.061	2	111.7989	0.754	13	111.8971	0.814	27	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[5a]C[6])(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]F)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[5a]C[6])(S[5a]C[5a]){1|F<1>,1|H<1>,1|O<1>,3|C<3>}	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]F){1|H<1>,1|S<2>,2|C<3>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(C[6]C[6]O){1|C<3>,1|F<1>,1|O<1>,1|S<2>}	111.8485	0.129	2	111.8485	0.017	2	111.7989	0.754	13	111.8971	0.814	27	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[5a]C[6])(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]I)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[5a]C[6])(S[5a]C[5a]){1|H<1>,1|I<1>,1|O<1>,3|C<3>}	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]I){1|H<1>,1|S<2>,2|C<3>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(C[6]C[6]O){1|C<3>,1|I<1>,1|O<1>,1|S<2>}	111.2320	2.400	2	111.2320	5.760	2	111.7989	0.754	13	111.8971	0.814	27	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[5a]C[6])(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]Si)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[5a]C[6])(S[5a]C[5a]){1|Si<4>,1|H<1>,1|O<1>,3|C<3>}	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]Si){1|H<1>,1|S<2>,2|C<3>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(C[6]C[6]O){1|Si<4>,1|C<3>,1|O<1>,1|S<2>}	111.1860	0.185	2	111.1860	0.034	2	111.7989	0.754	13	111.8971	0.814	27	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](C[5a,6]N[5a,6]N[5a])(C[5a,6]C[5a]C[6])(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(C[6]C[6]C)	C[5a,6](C[5a,6]N[5a,6]N[5a])(C[5a,6]C[5a]C[6])(S[5a]C[5a]){2|H<1>,4|C<3>}	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(C[6]C[6]C){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	112.0950	0.000	1	112.0950	0.000	1	111.7989	0.754	13	111.8971	0.814	27	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6](C[5a,6]N[5a,6]N[5a])(C[5a,6]C[5a]C[6])(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[6]C[6a]C[6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]N[5a,6]N[5a])(C[5a,6]C[5a]C[6])(S[5a]C[5a]){2|H<1>,4|C<3>}	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[6]C[6a]C[6])(C[5a]C[5a]H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	112.7360	0.000	1	112.7360	0.000	1	112.7360	0.000	1	111.8971	0.814	27	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[6]-3:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](C[5a,6]C[5a,6]C[5a])(C[6]C[6a]P[6])(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a,6]S[5a]C[6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a,6]C[5a])(C[6]C[6a]P[6])(S[5a]C[5a]){2|H<1>,4|C<3>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){1|H<1>,1|P<2>,2|C<3>}	C[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a,6]S[5a]C[6])(C[5a]C[5a]H){1|P<2>,1|S<2>,2|C<3>,2|H<1>}	110.2890	0.000	1	110.2890	0.000	1	110.2890	0.000	1	111.8971	0.814	27	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[6]-3:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5a,6]O)(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]S[5a]C[6])(C[6]C[5a,6]O)(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5a,6]O)(S[5a]C[5a]){1|O<1>,2|C<3>,2|H<1>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){1|H<1>,1|O<1>,2|C<3>}	C[5a,6](C[5a,6]S[5a]C[6])(C[6]C[5a,6]O)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|O<1>,1|S<2>}	113.4850	0.000	1	113.4850	0.000	1	112.4888	0.573	4	111.8971	0.814	27	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[6]-3:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5a,6]O)(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]I)	C[5a,6](C[5a,6]S[5a]C[6])(C[6]C[5a,6]O)(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5a,6]O)(S[5a]C[5a]){1|H<1>,1|I<1>,1|O<1>,2|C<3>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]I){1|H<1>,1|O<1>,2|C<3>}	C[5a,6](C[5a,6]S[5a]C[6])(C[6]C[5a,6]O)(C[5a]C[5a]H){1|C<3>,1|I<1>,1|O<1>,1|S<2>}	111.8050	0.000	1	111.8050	0.000	1	112.4888	0.573	4	111.8971	0.814	27	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[6]-3:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]S)	C[5a,6](C[5a,6]S[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]C)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(S[5a]C[5a]){1|O<1>,1|S<2>,3|C<3>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]S){1|O<1>,3|C<3>}	C[5a,6](C[5a,6]S[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]C){1|O<1>,1|S<2>,2|C<3>}	112.3325	0.457	2	112.3325	0.209	2	112.4888	0.573	4	111.8971	0.814	27	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[5a,6]-3:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:N[6]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]N[6])(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[6,6a]S[5a])(C[5a]C[5a]H)(N[6]C[6]C)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]N[6])(S[5a]C[5a]){1|C<4>,3|C<3>,3|H<1>}	S[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]C[6,6a]S[5a])(C[5a]C[5a]H)(N[6]C[6]C){2|C<3>,3|H<1>}	110.6110	0.000	1	110.6110	0.000	1	110.6110	0.000	1	111.8971	0.814	27	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:3:4:	C[5,6]-3:C[5a,6]-3:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[5,6]C[5,6]N[5])(C[5a,6]C[5a]C[6])(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5,6]S[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH)	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>}	S[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]C[5a]H){1|C<3>,1|N<2>,2|C<4>}	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>}	112.5000	0.000	1	112.5000	0.000	1	112.5000	0.000	1	111.1456	0.737	5	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[5a,6]-3:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]C)	C[5a,6](C[5a,6]C[6,6a]S[5a])(C[5a]C[5a]H)(C[6]C[6]HH)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(S[5a]C[5a]){1|C<4>,3|H<1>,4|C<3>}	S[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a,6](C[5a,6]C[6,6a]S[5a])(C[5a]C[5a]H)(C[6]C[6]HH){2|H<1>,3|C<3>}	111.0283	0.181	3	111.0283	0.033	3	110.8070	0.218	4	111.1456	0.737	5	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[5a,6]-3:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]C[6a])	C[5a,6](C[5a,6]C[6,6a]S[5a])(C[5a]C[5a]H)(C[6]C[6]HH)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(S[5a]C[5a]){1|C<4>,3|H<1>,4|C<3>}	S[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[6,6a]S[5a])(C[5a]C[5a]H)(C[6]C[6]HH){2|H<1>,3|C<3>}	110.1430	0.000	1	110.1430	0.000	1	110.8070	0.218	4	111.1456	0.737	5	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:4:2:	C[5a,6]-3:C[5a,6]-3:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5,6]-4:N[5a]-2:	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[5,6]N[5a])(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]N[5a])	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5,6]C[5,6]O[5]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[5,6]N[5a])(S[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|O<2>}	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]N[5a]){1|C<4>,2|C<3>,2|S<2>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5,6]C[5,6]O[5]2)(N[5a]C[5a]){1|S<2>,2|C<3>,2|C<4>,2|O<2>}	110.2480	0.379	4	110.2480	0.144	4	110.2925	0.109	8	109.9805	0.373	11	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:4:2:	C[5a,6]-3:C[5a,6]-3:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5,6]-4:N[5a]-2:	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[5,6]N[5a])(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]2)(C[5a]N[5a]C)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5,6]C[5,6]O[5]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[5,6]N[5a])(S[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|O<2>}	S[5a](C[5a,6]C[5a,6]2)(C[5a]N[5a]C){1|C<3>,1|C<4>,1|S<2>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5,6]C[5,6]O[5]2)(N[5a]C[5a]){1|S<2>,2|C<3>,2|C<4>,2|O<2>}	110.3370	0.323	4	110.3370	0.104	4	110.2925	0.109	8	109.9805	0.373	11	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:4:2:	C[5a,6]-3:C[6,6]-3:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6](C[5a,6]N[5a]C[6])(C[6,6]C[6,6]C[6])(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]C[6,6])(C[5a]C[6a]N[5a])	C[5a,6](C[5a,6]C[6,6]S[5a])(C[6]C[6]HH)(N[5a]C[5a])	C[5a,6](C[5a,6]N[5a]C[6])(C[6,6]C[6,6]C[6])(S[5a]C[5a]){1|C<3>,3|H<1>,4|C<4>}	S[5a](C[5a,6]C[5a,6]C[6,6])(C[5a]C[6a]N[5a]){2|C<4>,3|C<3>}	C[5a,6](C[5a,6]C[6,6]S[5a])(C[6]C[6]HH)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	109.1483	0.234	3	109.1483	0.055	3	109.1483	0.055	3	109.9805	0.373	11	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:4:3:	C[5a,6]-3:C[5a,6]-3:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[3x6]-4:C[5a]-3:	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[3x6]C[5a])(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]Br)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[3x6]C[3x6]O[6]2)(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[3x6]C[5a])(S[5a]C[5a]){1|Br<1>,1|C<4>,1|H<1>,2|C<3>,2|O<2>}	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]Br){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[3x6]C[3x6]O[6]2)(C[5a]C[5a]H){1|Br<1>,1|C<3>,1|S<2>,2|C<4>,2|O<2>}	112.0840	0.000	1	112.0840	0.000	1	111.9477	0.074	4	111.6704	0.133	13	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:4:3:	C[5a,6]-3:C[5a,6]-3:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[3x6]-4:C[5a]-3:	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[3x6]C[5a])(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]C)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[3x6]C[3x6]O[6]2)(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[3x6]C[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[3x6]C[3x6]O[6]2)(C[5a]C[5a]H){1|S<2>,2|C<3>,2|C<4>,2|O<2>}	111.5810	0.000	1	111.5810	0.000	1	111.9477	0.074	4	111.6704	0.133	13	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:4:3:	C[5a,6]-3:C[5a,6]-3:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[3x6]-4:C[5a]-3:	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[3x6]C[5a])(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]F)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[3x6]C[3x6]O[6]2)(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[3x6]C[5a])(S[5a]C[5a]){1|C<4>,1|F<1>,1|H<1>,2|C<3>,2|O<2>}	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]F){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[3x6]C[3x6]O[6]2)(C[5a]C[5a]H){1|C<3>,1|F<1>,1|S<2>,2|C<4>,2|O<2>}	112.0630	0.206	2	112.0630	0.043	2	111.9477	0.074	4	111.6704	0.133	13	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:4:3:	C[5a,6]-3:C[5a,6]-3:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5,6]-4:C[5a]-3:	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[5,6]C[5a])(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]Br)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5,6]C[5,6]O[5]2)(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[5,6]C[5a])(S[5a]C[5a]){1|Br<1>,1|C<4>,1|H<1>,2|C<3>,2|O<2>}	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]Br){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5,6]C[5,6]O[5]2)(C[5a]C[5a]H){1|Br<1>,1|C<3>,1|S<2>,2|C<4>,2|O<2>}	111.8765	0.218	2	111.8765	0.048	2	111.8765	0.048	2	111.6704	0.133	13	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:4:3:	C[5a,6]-3:C[5a,6]-3:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6]-4:C[5a]-3:	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[6,6]C[5a])(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[6,6]C[6,6]C[6]2)(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[6,6]C[5a])(S[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[6,6]C[6,6]C[6]2)(C[5a]C[5a]H){1|S<2>,3|H<1>,5|C<3>}	111.3460	0.072	2	111.3460	0.005	2	111.3460	0.005	2	111.6704	0.133	13	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:4:3:	C[5a,6]-3:C[6]-3:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]O)(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]S[5a]C[6])(C[6]N[5,6]HH)(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]O)(S[5a]C[5a]){1|C<4>,1|N<3>,5|H<1>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){1|H<1>,1|O<1>,2|C<4>}	C[5a,6](C[5a,6]S[5a]C[6])(C[6]N[5,6]HH)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	111.8910	0.000	1	111.8910	0.000	1	111.8910	0.000	1	111.6704	0.133	13	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[5a,6]-3:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6](C[6,6a]C[5,6,6a]C[6a])(C[5a,6]C[5a]C[6])(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[6,6a]S[5a])(C[6]N[5,6]HH)(C[5a]C[5a]H)	C[5a,6](C[6,6a]C[5,6,6a]C[6a])(C[5a,6]C[5a]C[6])(S[5a]C[5a]){1|N<3>,2|C<3>,5|H<1>}	S[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a,6](C[5a,6]C[6,6a]S[5a])(C[6]N[5,6]HH)(C[5a]C[5a]H){1|H<1>,3|C<3>}	111.3970	0.349	4	111.3970	0.122	4	111.3970	0.122	4	111.6704	0.133	13	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[5a,6]-3:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[3x6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](C[6,6a]C[6,6,6a]C[6a])(C[5a,6]C[3x6]C[5a])(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)	C[5a,6](C[3x6]C[6,6,6a]C[3x6]C[6])(C[5a,6]C[6,6a]S[5a])(C[5a]C[5a]H)	C[5a,6](C[6,6a]C[6,6,6a]C[6a])(C[5a,6]C[3x6]C[5a])(S[5a]C[5a]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	S[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a,6](C[3x6]C[6,6,6a]C[3x6]C[6])(C[5a,6]C[6,6a]S[5a])(C[5a]C[5a]H){2|C<4>,3|H<1>,5|C<3>}	111.0400	0.187	2	111.0400	0.035	2	111.0400	0.035	2	111.0400	0.035	2	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:4:2:	3:3:	3:2:2:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:O[6]-2:	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])	C[5a,6](C[5a,6]S[5a]C[6])(N[5a]C[5a])(O[6]C[6])	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(S[5a]C[5a]){1|C<4>,1|H<1>,4|C<3>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5a,6](C[5a,6]S[5a]C[6])(N[5a]C[5a])(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	107.1135	0.480	2	107.4145	0.207	4	107.4145	0.207	4	107.4145	0.207	4	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:4:2:	3:3:	3:2:2:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:O[6]-2:	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])	C[5a,6](C[5a,6]S[5a]C[6])(N[5a]C[5a])(O[6]C[6])	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(S[5a]C[5a]){1|H<1>,5|C<3>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5a,6](C[5a,6]S[5a]C[6])(N[5a]C[5a])(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	107.5990	0.000	1	107.4145	0.207	4	107.4145	0.207	4	107.4145	0.207	4	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:4:2:	3:3:	3:2:2:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:O[6]-2:	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])	C[5a,6](C[5a,6]S[5a]C[6])(N[5a]C[5a])(O[6]C[6])	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(S[5a]C[5a]){2|H<1>,4|C<3>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5a,6](C[5a,6]S[5a]C[6])(N[5a]C[5a])(O[6]C[6]){1|C<4>,1|H<1>,3|C<3>}	107.8320	0.000	1	107.4145	0.207	4	107.4145	0.207	4	107.4145	0.207	4	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:4:2:	3:3:	3:3:2:	C[5a,6]-3:C[6,6]-4:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[6,6]C[6]2O[6])(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]C[6,6])(C[5a]N[5a]N)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[6,6]S[5a])(N[5a]C[5a])	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[6,6]C[6]2O[6])(S[5a]C[5a]){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	S[5a](C[5a,6]C[5a,6]C[6,6])(C[5a]N[5a]N){1|C<3>,1|O<2>,2|C<4>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[6,6]S[5a])(N[5a]C[5a]){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|C<4>}	109.2340	0.000	1	109.2340	0.000	1	109.2340	0.000	1	110.5024	0.761	14	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:4:2:	3:3:	3:3:2:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:N[5a]-2:	C[5a,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C[6])	C[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a,6]S[5a]C[6])(N[5a]C[5a])	C[5a,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C[6]){1|C<3>,3|C<4>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a,6]S[5a]C[6])(N[5a]C[5a]){1|C<3>,1|N<2>,1|O<2>,2|C<4>,2|H<1>}	108.8760	0.000	1	108.8760	0.000	1	108.8760	0.000	1	110.5024	0.761	14	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:4:2:	3:3:	3:3:2:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-3:S[6]-2:	C[5a,6](C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H)(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]O)	C[5a,6](C[5a,6]S[5a]C[6])(N[5a]C[5a]H)(S[6]C[6])	C[5a,6](C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H)(S[5a]C[5a]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]O){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(N[5a]C[5a]H)(S[6]C[6]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	110.0880	0.344	2	110.1123	0.061	3	110.1123	0.061	3	110.5024	0.761	14	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:4:2:	3:3:	3:3:2:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-3:S[6]-2:	C[5a,6](C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H)(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]O)	C[5a,6](C[5a,6]S[5a]C[6])(N[5a]C[5a]H)(S[6]C[6])	C[5a,6](C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H)(S[5a]C[5a]){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]O){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(N[5a]C[5a]H)(S[6]C[6]){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	110.1610	0.000	1	110.1123	0.061	3	110.1123	0.061	3	110.5024	0.761	14	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:4:2:	3:3:	3:3:2:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH)(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]N)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]S[5a]C[6])(N[5a]C[5a])	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH)(S[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]N){1|C<3>,1|C<4>,2|H<1>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]S[5a]C[6])(N[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	109.8755	0.026	2	109.8755	0.001	2	109.8755	0.001	2	110.5024	0.761	14	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:4:2:	3:3:	3:3:2:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:O[6]-2:	C[5a,6](C[5a,6]C[5a,6a]O[6])(C[6]C[6a]C[6]H)(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(O[6]C[6])	C[5a,6](C[5a,6]C[5a,6a]O[6])(C[6]C[6a]C[6]H)(S[5a]C[5a,6a]){1|C<2>,5|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6]){1|O<2>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(O[6]C[6]){1|N<3>,2|H<1>,4|C<3>}	111.2270	0.000	1	111.2522	0.045	6	111.2522	0.045	6	110.5024	0.761	14	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:4:2:	3:3:	3:3:2:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:O[6]-2:	C[5a,6](C[5a,6]C[5a,6a]O[6])(C[6]C[6a]C[6]H)(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(O[6]C[6])	C[5a,6](C[5a,6]C[5a,6a]O[6])(C[6]C[6a]C[6]H)(S[5a]C[5a,6a]){1|C<4>,1|H<1>,5|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(O[6]C[6]){2|C<4>,3|C<3>,3|H<1>}	111.5540	0.000	1	111.2522	0.045	6	111.2522	0.045	6	110.5024	0.761	14	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:4:2:	3:3:	3:3:2:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:O[6]-2:	C[5a,6](C[5a,6]C[5a,6a]O[6])(C[6]C[6a]C[6]H)(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(O[6]C[6])	C[5a,6](C[5a,6]C[5a,6a]O[6])(C[6]C[6a]C[6]H)(S[5a]C[5a,6a]){6|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6]){1|O<2>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(O[6]C[6]){1|N<3>,2|H<1>,4|C<3>}	111.1830	0.196	4	111.2522	0.045	6	111.2522	0.045	6	110.5024	0.761	14	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:4:2:	3:3:	3:3:2:	C[5a,6]-3:Si[6,6]-4:S[5a]-2:	C[5a,5a]-3:C[5a,6]-3:	C[5a,6]-3:C[5a,5a]-3:S[6]-2:	C[5a,6](C[5a,6]C[5a,5a]S[6])(Si[6,6]C[5a,6]3)(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6]C[5a,6]Si[6,6])	C[5a,6](C[5a,6]Si[6,6]S[5a])(C[5a,5a]C[5a,5a]2)(S[6]C[5a,6])	C[5a,6](C[5a,6]C[5a,5a]S[6])(Si[6,6]C[5a,6]3)(S[5a]C[5a,5a]){4|C<3>,4|S<2>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6]C[5a,6]Si[6,6]){1|S<2>,5|C<3>}	C[5a,6](C[5a,6]Si[6,6]S[5a])(C[5a,5a]C[5a,5a]2)(S[6]C[5a,6]){1|S<2>,6|C<3>}	111.3230	0.000	1	111.3230	0.000	1	111.3230	0.000	1	110.5024	0.761	14	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:4:2:	3:3:	3:3:3:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](C[5a,6]C[5a,6]C[5a])(C[6]C[6a]P[6]H)(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a,6]S[5a]C[6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a,6]C[5a])(C[6]C[6a]P[6]H)(S[5a]C[5a]){1|S<1>,2|H<1>,5|C<3>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){1|P<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a,6]S[5a]C[6])(C[5a]C[5a]H){1|P<4>,1|S<2>,2|C<3>,3|H<1>}	110.6860	0.000	1	110.6860	0.000	1	110.9705	0.162	2	111.0979	0.336	8	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:4:2:	3:3:	3:3:3:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](C[5a,6]C[5a,6]C[5a])(C[6]C[6a]P[6]O)(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a,6]S[5a]C[6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a,6]C[5a])(C[6]C[6a]P[6]O)(S[5a]C[5a]){1|O<1>,2|H<1>,5|C<3>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){1|H<1>,1|O<2>,1|P<4>,2|C<3>}	C[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a,6]S[5a]C[6])(C[5a]C[5a]H){1|O<2>,1|P<4>,1|S<2>,2|C<3>,2|H<1>}	111.2550	0.000	1	111.2550	0.000	1	110.9705	0.162	2	111.0979	0.336	8	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:4:2:	3:3:	3:3:3:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]N)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a]){1|C<4>,1|N<2>,4|H<1>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]N){2|C<4>,4|H<1>}	110.7880	0.000	1	110.7880	0.000	1	111.0090	0.098	2	111.0979	0.336	8	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:4:2:	3:3:	3:3:3:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](C[5a,6]C[5a]C[6])(C[6]N[6,6]HH)(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6,6]O)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]N[6,6]HH)(S[5a]C[5a]){1|O<1>,2|C<4>,2|H<1>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){1|C<3>,1|N<3>,3|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6,6]O){1|C<4>,1|N<3>,4|H<1>}	111.2300	0.000	1	111.2300	0.000	1	111.0090	0.098	2	111.0979	0.336	8	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:4:2:	3:3:	3:3:3:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[6,6]-3:C[5a]-3:	C[5a,6](C[5a,6]N[6,6]C[5a])(C[6]N[6,6]HH)(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]S[5a]C[6])(N[6,6]C[6,6]C[6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]N[6,6]C[5a])(C[6]N[6,6]HH)(S[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){2|N<3>,3|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(N[6,6]C[6,6]C[6])(C[5a]C[5a]H){1|C<3>,1|N<3>,7|H<1>}	110.6395	0.245	2	110.6395	0.060	2	110.6395	0.060	2	111.0979	0.336	8	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:4:2:	3:3:	3:3:3:	C[5a,6]-3:P[6]-4:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](C[5a,6]C[5a,6]C[5a])(P[6]C[6a]C[6]O)(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]P[6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a,6]S[5a]P[6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a,6]C[5a])(P[6]C[6a]C[6]O)(S[5a]C[5a]){1|O<2>,2|H<1>,5|C<3>}	S[5a](C[5a,6]C[5a,6]P[6])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a,6]S[5a]P[6])(C[5a]C[5a]H){1|C<4>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	111.2000	0.000	1	111.2000	0.000	1	111.7725	0.656	2	111.0979	0.336	8	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:4:2:	3:3:	3:3:3:	C[5a,6]-3:P[6]-4:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](C[5a,6]C[5a,6]C[5a])(P[6]C[6a]C[6]S)(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]P[6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a,6]S[5a]P[6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a,6]C[5a])(P[6]C[6a]C[6]S)(S[5a]C[5a]){3|H<1>,5|C<3>}	S[5a](C[5a,6]C[5a,6]P[6])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|S<1>,2|C<3>}	C[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a,6]S[5a]P[6])(C[5a]C[5a]H){1|C<4>,1|S<1>,1|S<2>,2|C<3>,2|H<1>}	112.3450	0.000	1	112.3450	0.000	1	111.7725	0.656	2	111.0979	0.336	8	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:4:2:	3:3:	3:3:4:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HN)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a]){1|C<4>,1|N<3>,5|H<1>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){2|C<4>,3|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HN){2|C<4>,4|H<1>}	111.3190	0.000	1	111.3190	0.000	1	112.1213	0.514	63	112.2071	0.608	68	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:4:2:	3:3:	3:3:4:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HO)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a]){1|C<4>,1|O<2>,5|H<1>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){2|C<4>,3|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HO){1|C<4>,1|O<2>,4|H<1>}	110.2040	0.000	1	110.2040	0.000	1	112.1213	0.514	63	112.2071	0.608	68	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:4:2:	3:3:	3:3:4:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]HH)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a]){1|N<3>,6|H<1>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){2|C<4>,3|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]HH){1|C<3>,1|C<4>,3|H<1>}	111.0148	0.134	4	111.1019	0.038	11	112.1213	0.514	63	112.2071	0.608	68	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:4:2:	3:3:	3:3:4:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]HH)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a]){1|N<3>,6|H<1>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){2|C<4>,3|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]HH){1|C<4>,1|S<4>,3|H<1>}	111.2260	0.489	2	111.1019	0.038	11	112.1213	0.514	63	112.2071	0.608	68	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:4:2:	3:3:	3:3:4:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]HH)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a]){1|N<3>,6|H<1>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){2|C<4>,3|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]HH){2|C<4>,3|H<1>}	111.1390	0.080	4	111.1019	0.038	11	112.1213	0.514	63	112.2071	0.608	68	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:4:2:	3:3:	3:3:4:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]HH)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a]){1|N<4>,6|H<1>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){2|C<4>,3|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]HH){2|C<4>,4|H<1>}	111.0540	0.000	1	111.1019	0.038	11	112.1213	0.514	63	112.2071	0.608	68	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:4:2:	3:3:	3:3:4:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]N)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a]){1|C<2>,1|C<4>,1|N<2>,4|H<1>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]N){1|C<2>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH){1|C<4>,1|N<2>,4|H<1>}	112.4036	0.227	10	112.4089	0.201	39	112.1213	0.514	63	112.2071	0.608	68	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:4:2:	3:3:	3:3:4:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]N)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a]){1|C<2>,1|C<4>,1|N<3>,4|H<1>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]N){1|C<2>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH){1|C<4>,1|N<3>,4|H<1>}	111.9457	0.280	3	112.4089	0.201	39	112.1213	0.514	63	112.2071	0.608	68	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:4:2:	3:3:	3:3:4:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]N)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]N){1|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH){1|C<4>,1|N<2>,4|H<1>}	112.3962	0.319	13	112.4089	0.201	39	112.1213	0.514	63	112.2071	0.608	68	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:4:2:	3:3:	3:3:4:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]N)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]N){1|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH){1|C<4>,1|N<3>,4|H<1>}	112.5381	0.671	12	112.4089	0.201	39	112.1213	0.514	63	112.2071	0.608	68	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:4:2:	3:3:	3:3:4:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]N)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a]){1|N<2>,2|C<3>,3|H<1>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]N){1|C<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH){1|C<3>,1|N<2>,3|H<1>}	112.4660	0.000	1	112.4089	0.201	39	112.1213	0.514	63	112.2071	0.608	68	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:4:2:	3:3:	3:3:4:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]O)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]HH)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a]){1|N<3>,1|O<2>,5|H<1>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]O){2|C<4>,3|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]HH){1|O<2>,2|C<4>,2|H<1>}	112.1600	0.294	3	112.1600	0.087	3	112.1213	0.514	63	112.2071	0.608	68	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:4:2:	3:3:	3:3:4:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a]C[6])(C[6]N[6]CH)(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]N[6]CH)(S[5a]C[5a]){1|C<3>,1|C<4>,4|H<1>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){1|N<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,4|H<1>}	111.6075	0.462	2	111.6075	0.213	2	112.1213	0.514	63	112.2071	0.608	68	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:4:2:	3:3:	3:3:4:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a]C[6])(C[6]N[6]HH)(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]N)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]N[6]HH)(S[5a]C[5a]){1|C<2>,1|N<2>,2|C<4>,2|H<1>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]N){1|C<2>,1|C<4>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH){1|N<2>,1|N<3>,4|H<1>}	112.2560	0.000	1	112.7263	0.354	6	112.1213	0.514	63	112.2071	0.608	68	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:4:2:	3:3:	3:3:4:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a]C[6])(C[6]N[6]HH)(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]N)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]N[6]HH)(S[5a]C[5a]){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]N){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH){1|N<2>,1|N<3>,4|H<1>}	112.6390	0.000	1	112.7263	0.354	6	112.1213	0.514	63	112.2071	0.608	68	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:4:2:	3:3:	3:3:4:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a]C[6])(C[6]N[6]HH)(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]N)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]N[6]HH)(S[5a]C[5a]){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]N){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH){2|N<3>,4|H<1>}	112.8658	0.699	4	112.7263	0.354	6	112.1213	0.514	63	112.2071	0.608	68	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:4:2:	3:3:	3:3:4:	C[5a,6]-3:S[6]-4:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a]C[6])(S[6]C[6]OO)(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]S[6])(C[5a]C[5a]S)	C[5a,6](C[5a,6]S[5a]S[6])(C[5a]C[5a]H)(C[6]C[6]HN)	C[5a,6](C[5a,6]C[5a]C[6])(S[6]C[6]OO)(S[5a]C[5a]){1|N<3>,1|S<4>,2|C<4>,3|H<1>}	S[5a](C[5a,6]C[5a,6]S[6])(C[5a]C[5a]S){1|H<1>,2|C<4>,2|O<1>}	C[5a,6](C[5a,6]S[5a]S[6])(C[5a]C[5a]H)(C[6]C[6]HN){1|C<4>,1|S<4>,2|H<1>,2|O<1>}	113.8370	0.000	1	113.9400	0.021	2	113.8657	0.027	3	112.2071	0.608	68	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:4:2:	3:3:	3:3:4:	C[5a,6]-3:S[6]-4:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a]C[6])(S[6]C[6]OO)(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]S[6])(C[5a]C[5a]S)	C[5a,6](C[5a,6]S[5a]S[6])(C[5a]C[5a]H)(C[6]C[6]HN)	C[5a,6](C[5a,6]C[5a]C[6])(S[6]C[6]OO)(S[5a]C[5a]){1|N<4>,1|S<4>,2|C<4>,3|H<1>}	S[5a](C[5a,6]C[5a,6]S[6])(C[5a]C[5a]S){1|H<1>,2|C<4>,2|O<1>}	C[5a,6](C[5a,6]S[5a]S[6])(C[5a]C[5a]H)(C[6]C[6]HN){1|C<4>,1|S<4>,2|H<1>,2|O<1>}	114.0430	0.000	1	113.9400	0.021	2	113.8657	0.027	3	112.2071	0.608	68	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:4:2:	3:3:	3:3:4:	C[5a,6]-3:S[6]-4:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a]C[6])(S[6]N[6]OO)(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]S[6])(C[5a]C[5a]S)	C[5a,6](C[5a,6]S[5a]S[6])(C[5a]C[5a]H)(C[6]C[6]HN)	C[5a,6](C[5a,6]C[5a]C[6])(S[6]N[6]OO)(S[5a]C[5a]){1|N<3>,1|S<4>,2|C<4>,2|H<1>}	S[5a](C[5a,6]C[5a,6]S[6])(C[5a]C[5a]S){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5a,6](C[5a,6]S[5a]S[6])(C[5a]C[5a]H)(C[6]C[6]HN){1|N<3>,1|S<4>,2|H<1>,2|O<1>}	113.7170	0.000	1	113.7170	0.000	1	113.8657	0.027	3	112.2071	0.608	68	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:4:2:	3:3:	3:3:4:	C[5a,6]-3:Si[6]-4:S[5a]-2:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:Si[6]-4:	C[5a,6](C[5a,6]C[5a,6a]Si[6])(Si[6]C[5a,6]CC)(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]Si[6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]Si[6])(Si[6]C[5a,6]CC)	C[5a,6](C[5a,6]C[5a,6a]Si[6])(Si[6]C[5a,6]CC)(S[5a]C[5a,6a]){1|S<2>,2|C<4>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]Si[6]){1|Si<4>,1|H<1>,2|C<4>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]Si[6])(Si[6]C[5a,6]CC){1|H<1>,2|C<4>,4|C<3>}	112.4220	0.031	2	112.4220	0.001	2	112.4220	0.001	2	112.2071	0.608	68	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:4:2:	3:3:	3:4:3:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]HH)(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]S[5a]C[6])(C[6]N[5,6]HH)(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]HH)(S[5a]C[5a]){1|C<4>,1|N<3>,5|H<1>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){2|C<4>,3|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[6]N[5,6]HH)(C[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	111.2400	0.000	1	111.2400	0.000	1	111.0890	0.097	3	112.3051	1.480	7	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:4:2:	3:3:	3:4:3:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]HH)(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]S[5a]C[6])(C[6]C[6,6a]CH)(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]HH)(S[5a]C[5a]){1|C<2>,2|C<3>,3|H<1>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[6]C[6,6a]CH)(C[5a]C[5a]H){2|C<3>,3|H<1>}	111.0135	0.400	2	111.0135	0.160	2	111.0890	0.097	3	112.3051	1.480	7	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:4:2:	3:3:	3:4:3:	C[5a,6]-3:S[6]-4:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6](C[5a,6]C[5a]C[6])(S[6]N[5,6]OO)(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]S[6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]S[5a]S[6])(C[6]C[5,6]HH)(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a]C[6])(S[6]N[5,6]OO)(S[5a]C[5a]){2|C<4>,4|H<1>}	S[5a](C[5a,6]C[5a,6]S[6])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5a,6](C[5a,6]S[5a]S[6])(C[6]C[5,6]HH)(C[5a]C[5a]H){1|C<4>,1|N<3>,2|H<1>,2|O<1>}	113.2173	0.554	4	113.2173	0.307	4	113.2173	0.307	4	112.3051	1.480	7	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:4:2:	3:3:	4:3:3:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[6]HH)(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a,6](C[5,6]N[5,6]C[6a]C[5])(C[5a,6]S[5a]C[6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[6]HH)(S[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a,6](C[5,6]N[5,6]C[6a]C[5])(C[5a,6]S[5a]C[6])(C[5a]C[5a]H){2|C<4>,3|C<3>,5|H<1>}	111.3870	0.000	1	111.3870	0.000	1	111.3870	0.000	1	111.4083	0.024	3	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	3:4:2:	3:3:	4:3:3:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](C[5a,6]C[6,6]C[5a])(C[6]C[6]HH)(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]Cl)	C[5a,6](C[6,6]C[6,6]C[6]C)(C[5a,6]S[5a]C[6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[6,6]C[5a])(C[6]C[6]HH)(S[5a]C[5a]){1|Cl<1>,3|C<4>,3|H<1>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]Cl){2|C<4>,3|H<1>}	C[5a,6](C[6,6]C[6,6]C[6]C)(C[5a,6]S[5a]C[6])(C[5a]C[5a]H){1|Cl<1>,3|C<4>,5|H<1>}	111.4190	0.219	2	111.4190	0.048	2	111.4190	0.048	2	111.4083	0.024	3	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	4:3:2:	3:3:	3:3:2:	C[6,6]-4:C[5a,6]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:O[6]-2:	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]C[5a,6a]O[6])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]S[5a])(O[6]C[6,6])	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]C[5a,6a]O[6])(S[5a]C[5a,6a]){1|C<4>,2|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]S[5a])(O[6]C[6,6]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	111.8360	0.000	1	111.8360	0.000	1	111.8360	0.000	1	111.8360	0.000	1	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	4:3:2:	3:3:	3:3:3:	C[6,6]-4:C[5a,6]-3:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](C[6,6]C[5,6,6]C[6]H)(C[5a,6]C[5a]C[6])(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]C[6,6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[6,6]S[5a])(C[5a]C[5a]H)(C[6]C[5,6]H)	C[5a,6](C[6,6]C[5,6,6]C[6]H)(C[5a,6]C[5a]C[6])(S[5a]C[5a]){1|C<3>,2|C<4>,6|H<1>}	S[5a](C[5a,6]C[5a,6]C[6,6])(C[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[6,6]S[5a])(C[5a]C[5a]H)(C[6]C[5,6]H){1|N<3>,2|C<4>,2|H<1>}	111.3310	0.000	1	111.3310	0.000	1	111.3310	0.000	1	111.3310	0.000	1	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	4:3:2:	3:3:	3:4:2:	C[5,6]-4:C[5a,6]-3:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]N[5a]C)	C[5a,6](C[5a,6]C[5,6]S[5a])(C[6]C[5]C[6]H)(N[5a]C[5a])	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(S[5a]C[5a]){1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	S[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]N[5a]C){1|C<3>,1|H<1>,2|C<4>}	C[5a,6](C[5a,6]C[5,6]S[5a])(C[6]C[5]C[6]H)(N[5a]C[5a]){3|C<3>,3|C<4>,3|H<1>}	109.4270	0.000	1	109.4270	0.000	1	109.4270	0.000	1	109.4270	0.000	1	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	4:3:2:	3:3:	3:4:3:	C[6,6]-4:C[5a,6]-3:S[5a]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5,6]-4:C[5a]-3:	C[5a,6](C[6,6]C[6,6]C[5]C[6])(C[5a,6]C[5,6]C[5a])(S[5a]C[5a])	S[5a](C[5a,6]C[5a,6]C[6,6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[6,6]S[5a])(C[5,6]C[5,6]C[5]H)(C[5a]C[5a]H)	C[5a,6](C[6,6]C[6,6]C[5]C[6])(C[5a,6]C[5,6]C[5a])(S[5a]C[5a]){2|C<3>,4|C<4>,7|H<1>}	S[5a](C[5a,6]C[5a,6]C[6,6])(C[5a]C[5a]H){1|H<1>,4|C<4>}	C[5a,6](C[5a,6]C[6,6]S[5a])(C[5,6]C[5,6]C[5]H)(C[5a]C[5a]H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	110.3800	0.000	1	110.3800	0.000	1	110.3800	0.000	1	110.3800	0.000	1	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6]	S[5a]	C[5a,6]	4:3:2:	3:3:	4:3:3:	B[5a,6]-4:C[5a,6]-3:S[5a]-2:	C[5a,6]-3:C[5a]-3:	B[5a,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](B[5a,6]C[5a,6]N[5a,6]O[5a])(C[5a,6]B[5a,6]C[5a])(S[5a]C[5a])	S[5a](C[5a,6]B[5a,6]C[5a,6])(C[5a]C[5a]H)	C[5a,6](B[5a,6]C[5a,6]N[5a,6]O[5a])(C[5a,6]B[5a,6]S[5a])(C[5a]C[5a]H)	C[5a,6](B[5a,6]C[5a,6]N[5a,6]O[5a])(C[5a,6]B[5a,6]C[5a])(S[5a]C[5a]){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	S[5a](C[5a,6]B[5a,6]C[5a,6])(C[5a]C[5a]H){1|B<4>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5a,6](B[5a,6]C[5a,6]N[5a,6]O[5a])(C[5a,6]B[5a,6]S[5a])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|O<2>,1|S<2>,4|C<3>}	110.7410	0.000	1	110.7410	0.000	1	110.7410	0.000	1	110.7410	0.000	1	112.2248	7.577	283	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6,6a]-3:C[5a,6a]-3:N[6,6a]-3:	C[5a,6a](C[5a,6,6a]C[5a,6,6a]N[6,6a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6,6a]C[5a,6a])2	C[5a,6,6a](C[5a,6,6a]C[5a,6a]N[6,6a])(C[5a,6a]C[5a,6a]S[5a])(N[6,6a]B[6a]C[6])	C[5a,6a](C[5a,6,6a]C[5a,6,6a]N[6,6a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a,6a]){1|B<3>,1|C<4>,1|N<3>,3|C<3>}	S[5a](C[5a,6a]C[5a,6,6a]C[5a,6a])2{2|C<3>,2|N<3>,2|S<2>}	C[5a,6,6a](C[5a,6,6a]C[5a,6a]N[6,6a])(C[5a,6a]C[5a,6a]S[5a])(N[6,6a]B[6a]C[6]){1|B<3>,1|C<4>,1|S<2>,2|H<1>,3|C<3>}	111.4745	0.227	2	111.4745	0.052	2	111.4745	0.052	2	111.4745	0.052	2	111.4745	0.052	2	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[3x6a]-3:C[5a,6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a,6a]C[6a])2	C[5a,6a,6a](C[3x6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a])	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a,6a]C[6a])2{2|H<1>,4|C<3>}	C[5a,6a,6a](C[3x6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a]){1|H<1>,6|C<3>}	108.4980	0.025	2	108.4980	0.001	2	108.4980	0.001	2	108.8342	1.027	36	111.1913	7.733	84	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a,6a]C[6a])2	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a])	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a,6a]C[6a])2{2|H<1>,4|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a]){1|H<1>,1|S<2>,5|C<3>}	110.7240	0.000	1	109.2695	0.398	11	109.1912	0.386	13	108.8342	1.027	36	111.1913	7.733	84	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a,6a]C[6a])2	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a])	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a,6a]C[6a])2{2|H<1>,4|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a]){1|H<1>,6|C<3>}	109.1240	0.429	10	109.2695	0.398	11	109.1912	0.386	13	108.8342	1.027	36	111.1913	7.733	84	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(S[5a]C[5a,6a])(C[6a]C[6a]O)	S[5a](C[5a,6a]C[5a,6a,6a]C[6a])2	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a])	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(S[5a]C[5a,6a])(C[6a]C[6a]O){1|O<2>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a,6a]C[6a])2{2|O<2>,4|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a]){1|N<2>,1|O<2>,5|C<3>}	109.0890	0.000	1	108.7610	0.215	2	109.1912	0.386	13	108.8342	1.027	36	111.1913	7.733	84	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(S[5a]C[5a,6a])(C[6a]C[6a]O)	S[5a](C[5a,6a]C[5a,6a,6a]C[6a])2	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a])	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(S[5a]C[5a,6a])(C[6a]C[6a]O){1|O<2>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a,6a]C[6a])2{2|O<2>,4|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a]){1|O<2>,6|C<3>}	108.4330	0.000	1	108.7610	0.215	2	109.1912	0.386	13	108.8342	1.027	36	111.1913	7.733	84	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(S[5a]C[5a,6a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a,6a]C[6a])2	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])2(C[5a,6a]C[6a]S[5a])	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(S[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a,6a]C[6a])2{2|H<1>,4|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])2(C[5a,6a]C[6a]S[5a]){1|H<1>,1|S<2>,5|C<3>}	108.9858	0.343	6	108.9858	0.118	6	107.9813	1.175	12	108.8342	1.027	36	111.1913	7.733	84	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(S[5a]C[5a,6a])(C[6a]C[6a]O)	S[5a](C[5a,6a]C[5a,6a,6a]C[6a])2	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a])	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(S[5a]C[5a,6a])(C[6a]C[6a]O){1|O<2>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a,6a]C[6a])2{2|O<2>,4|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a]){1|O<2>,1|S<2>,5|C<3>}	106.7215	0.054	2	106.7215	0.003	2	107.9813	1.175	12	108.8342	1.027	36	111.1913	7.733	84	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(S[5a]C[5a,6a])(C[6a]C[6a]O)	S[5a](C[5a,6a]C[5a,6a,6a]C[6a])2	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(S[5a]C[5a,6a])(C[6a]C[6a]O){1|O<2>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a,6a]C[6a])2{2|O<2>,4|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a]){1|O<2>,1|S<2>,5|C<3>}	107.1045	0.107	4	107.1045	0.012	4	107.9813	1.175	12	108.8342	1.027	36	111.1913	7.733	84	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[3x6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a,6a]C[6a])2	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a])(C[3x6a]C[6a,6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a,6a]C[6a])2{2|H<1>,4|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a])(C[3x6a]C[6a,6a]2){1|H<1>,6|C<3>}	109.8915	0.129	2	110.0205	0.028	4	110.0205	0.028	4	108.8342	1.027	36	111.1913	7.733	84	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[3x6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a,6a]C[6a])2	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a])(C[3x6a]C[6a,6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|N<3>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a,6a]C[6a])2{2|H<1>,4|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a]S[5a])(C[3x6a]C[6a,6a]2){1|H<1>,6|C<3>}	110.1495	0.042	2	110.0205	0.028	4	110.0205	0.028	4	108.8342	1.027	36	111.1913	7.733	84	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]O)	S[5a](C[5a,6a]C[5a,6a,6a]C[6a])2	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]O){1|O<2>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a,6a]C[6a])2{2|O<2>,4|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a]){1|Sn<4>,1|O<2>,5|C<3>}	108.6810	0.127	3	108.6810	0.016	3	109.1386	0.401	5	108.8342	1.027	36	111.1913	7.733	84	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]Si)	S[5a](C[5a,6a]C[5a,6a,6a]C[6a])2	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]Si){1|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a,6a]C[6a])2{2|Si<4>,4|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a]){1|Si<4>,1|H<1>,5|C<3>}	109.8250	0.047	2	109.8250	0.002	2	109.1386	0.401	5	108.8342	1.027	36	111.1913	7.733	84	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a,6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a,6a]-3:C[6,6a]-3:S[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6,6a]C[6,6a]C[6])(S[5a]S[5a])	S[5a](C[5a,6a]C[5a,6a,6a]C[6,6a])(S[5a]C[5a,6a])	C[5a,6a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a,6a,6a]C[5a,6a]2)(C[5a,6a]C[6,6a]S[5a])	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6,6a]C[6,6a]C[6])(S[5a]S[5a]){1|C<2>,1|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a,6a]C[6,6a])(S[5a]C[5a,6a]){4|C<3>}	C[5a,6a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a,6a,6a]C[5a,6a]2)(C[5a,6a]C[6,6a]S[5a]){2|S<2>,4|C<3>}	113.9240	0.000	1	114.0005	0.012	2	114.0005	0.012	2	114.5283	0.871	30	111.1913	7.733	84	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a,6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a,6a]-3:C[6,6a]-3:S[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6,6a]C[6,6a]C[6])(S[5a]S[5a])	S[5a](C[5a,6a]C[5a,6a,6a]C[6,6a])(S[5a]C[5a,6a])	C[5a,6a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a,6a,6a]C[5a,6a]2)(C[5a,6a]C[6,6a]S[5a])	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6,6a]C[6,6a]C[6])(S[5a]S[5a]){1|H<1>,5|C<3>}	S[5a](C[5a,6a]C[5a,6a,6a]C[6,6a])(S[5a]C[5a,6a]){4|C<3>}	C[5a,6a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a,6a,6a]C[5a,6a]2)(C[5a,6a]C[6,6a]S[5a]){2|S<2>,4|C<3>}	114.0770	0.000	1	114.0005	0.012	2	114.0005	0.012	2	114.5283	0.871	30	111.1913	7.733	84	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a,6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]S[5a])	S[5a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(S[5a]C[5a,6a])	C[5a,6a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a,6a,6a]C[5a,6a]2)(C[5a,6a]C[6,6a]S[5a])	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]S[5a]){1|H<1>,5|C<3>}	S[5a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(S[5a]C[5a,6a]){4|C<3>}	C[5a,6a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a,6a,6a]C[5a,6a]2)(C[5a,6a]C[6,6a]S[5a]){2|S<2>,4|C<3>}	114.2845	0.518	2	114.2845	0.269	2	114.2845	0.269	2	114.5283	0.871	30	111.1913	7.733	84	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a,6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]S[5a])	S[5a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(S[5a]C[5a,6a])	C[5a,6a,6a](C[5a,6a]C[6a,6a]S[5a])2(C[5a,6a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]S[5a]){1|H<1>,5|C<3>}	S[5a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(S[5a]C[5a,6a]){4|C<3>}	C[5a,6a,6a](C[5a,6a]C[6a,6a]S[5a])2(C[5a,6a,6a]C[5a,6a]2){2|S<2>,4|C<3>}	114.1139	0.681	14	114.1139	0.463	14	114.1139	0.463	14	114.5283	0.871	30	111.1913	7.733	84	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a,6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[3x6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[6a]C[5,6a]H)(S[5a]S[5a])	S[5a](C[5a,6a]C[5a,6a,6a]C[6a])(S[5a]C[5a,6a])	C[5a,6a,6a](C[3x6a]C[5,6a,6a]2)(C[5a,6a]C[6a]S[5a])2	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[6a]C[5,6a]H)(S[5a]S[5a]){1|S<2>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,3|C<3>}	C[5a,6a,6a](C[3x6a]C[5,6a,6a]2)(C[5a,6a]C[6a]S[5a])2{2|H<1>,4|C<3>}	113.6700	0.160	2	113.6700	0.026	2	113.6700	0.026	2	114.5283	0.871	30	111.1913	7.733	84	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a,6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[3x6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[6a]C[6a]H)(S[5a]S[5a])	S[5a](C[5a,6a]C[5a,6a,6a]C[6a])(S[5a]C[5a,6a])	C[5a,6a,6a](C[5a,6a]C[6a]S[5a])2(C[3x6a]C[6a,6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[6a]C[6a]H)(S[5a]S[5a]){1|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,3|C<3>}	C[5a,6a,6a](C[5a,6a]C[6a]S[5a])2(C[3x6a]C[6a,6a]2){2|H<1>,4|C<3>}	114.9433	0.286	4	114.9433	0.082	4	114.9433	0.082	4	114.5283	0.871	30	111.1913	7.733	84	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a,6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]C)(S[5a]S[5a])	S[5a](C[5a,6a]C[5a,6a,6a]C[6a])(S[5a]C[5a,6a])	C[5a,6a,6a](C[5a,6a]C[6a]S[5a])2(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]C)(S[5a]S[5a]){1|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a,6a]C[6a])(S[5a]C[5a,6a]){1|C<4>,3|C<3>}	C[5a,6a,6a](C[5a,6a]C[6a]S[5a])2(C[6a,6a]C[6a]2){1|C<4>,2|C<3>,3|N<3>}	114.5050	0.000	1	114.5050	0.000	1	115.7622	0.863	6	114.5283	0.871	30	111.1913	7.733	84	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a,6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(S[5a]S[5a])	S[5a](C[5a,6a]C[5a,6a,6a]C[6a])(S[5a]C[5a,6a])	C[5a,6a,6a](C[5a,6a]C[6a]S[5a])2(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(S[5a]S[5a]){1|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,3|C<3>}	C[5a,6a,6a](C[5a,6a]C[6a]S[5a])2(C[6a,6a]C[6a]2){1|N<3>,2|C<3>,3|H<1>}	115.6183	0.701	3	115.6183	0.491	3	115.7622	0.863	6	114.5283	0.871	30	111.1913	7.733	84	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a,6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]N)(S[5a]S[5a])	S[5a](C[5a,6a]C[5a,6a,6a]C[6a])(S[5a]C[5a,6a])	C[5a,6a,6a](C[5a,6a]C[6a]S[5a])2(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]N)(S[5a]S[5a]){1|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a,6a]C[6a])(S[5a]C[5a,6a]){1|N<3>,3|C<3>}	C[5a,6a,6a](C[5a,6a]C[6a]S[5a])2(C[6a,6a]C[6a]2){1|C<4>,2|C<3>,3|N<3>}	116.9680	0.000	1	116.6065	0.261	2	115.7622	0.863	6	114.5283	0.871	30	111.1913	7.733	84	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a,6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]N)(S[5a]S[5a])	S[5a](C[5a,6a]C[5a,6a,6a]C[6a])(S[5a]C[5a,6a])	C[5a,6a,6a](C[5a,6a]C[6a]S[5a])2(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]N)(S[5a]S[5a]){1|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a,6a]C[6a])(S[5a]C[5a,6a]){1|N<3>,3|C<3>}	C[5a,6a,6a](C[5a,6a]C[6a]S[5a])2(C[6a,6a]C[6a]2){1|N<3>,2|C<3>,3|H<1>}	116.2450	0.000	1	116.6065	0.261	2	115.7622	0.863	6	114.5283	0.871	30	111.1913	7.733	84	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5,6a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a]C[5a,6a]H)	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a,6a]S[5a])(C[5,6a,6a]C[5,6a]2)	C[5a,6a](C[5a,6a,6a]C[5,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a]){1|H<1>,1|O<2>,5|C<3>}	S[5a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a]C[5a,6a]H){4|C<3>}	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a,6a]S[5a])(C[5,6a,6a]C[5,6a]2){1|H<1>,1|P<4>,5|C<3>}	108.6550	0.000	1	108.6550	0.000	1	108.6550	0.000	1	110.3435	1.975	18	111.1913	7.733	84	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[3x6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[6a]C[6a,6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]N)	C[5a,6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]S[5a])	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[6a]C[6a,6a]H)(S[5a]C[5a]){1|N<2>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]N){1|H<1>,3|C<3>}	C[5a,6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]S[5a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	110.5230	0.000	1	110.5230	0.000	1	110.5230	0.000	1	110.3435	1.975	18	111.1913	7.733	84	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]C[6a])	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]S[5a])	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]S[5a]){1|S<2>,2|H<1>,4|C<3>}	108.4090	0.394	4	108.4090	0.155	4	108.4090	0.155	4	110.3435	1.975	18	111.1913	7.733	84	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]C){1|H<1>,3|C<3>}	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a,6a]C[6a]2){3|C<3>,4|H<1>}	110.3033	0.362	3	110.3033	0.131	3	111.1141	0.739	12	110.3435	1.975	18	111.1913	7.733	84	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]N)	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|H<1>,1|N<2>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]N){1|H<1>,3|C<3>}	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a,6a]C[6a]2){1|N<2>,1|O<2>,2|C<3>,3|H<1>}	111.3195	1.281	4	111.2528	1.253	5	111.1141	0.739	12	110.3435	1.975	18	111.1913	7.733	84	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]N)	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|H<1>,1|N<2>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]N){1|H<1>,3|C<3>}	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a,6a]C[6a]2){1|N<2>,2|C<3>,4|H<1>}	110.9860	0.000	1	111.2528	1.253	5	111.1141	0.739	12	110.3435	1.975	18	111.1913	7.733	84	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]O)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]N)	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a,6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]O)(S[5a]C[5a]){1|H<1>,1|N<2>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]N){1|O<2>,3|C<3>}	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a,6a]C[6a]2){1|N<2>,1|O<2>,2|C<3>,3|H<1>}	111.5487	0.095	4	111.5487	0.009	4	111.1141	0.739	12	110.3435	1.975	18	111.1913	7.733	84	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:2:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[6a]C[6a,6a])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]S[5a])(N[6a]C[6a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[6a]C[6a,6a])(S[5a]C[5a,6a]){4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a]){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]S[5a])(N[6a]C[6a,6a]){1|H<1>,4|C<3>}	112.0980	0.000	1	112.0980	0.000	1	112.0980	0.000	1	110.0766	1.385	5	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:2:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[5a,6a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[5a,6a]C[6a])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[5a,6a])(S[5a]C[5a]){1|S<2>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a]){4|C<3>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[5a,6a]C[6a])(N[5a]C[5a]){5|C<3>}	109.8665	0.063	2	109.8665	0.004	2	109.5713	0.144	4	110.0766	1.385	5	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:2:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a])(S[5a]C[5a]){1|H<1>,1|S<2>,2|C<3>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a]){4|C<3>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,2|C<3>}	109.0750	0.000	1	109.2760	0.081	2	109.5713	0.144	4	110.0766	1.385	5	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:2:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a])(S[5a]C[5a]){2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a]){4|C<3>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,2|C<3>}	109.4770	0.000	1	109.2760	0.081	2	109.5713	0.144	4	110.0766	1.385	5	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a]-3:C[5,5a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[6a]C[5,6a])(S[5a]C[5,5a])	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5,5a]C[5,5a]C[5])	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]N[6a]S[5a])(C[6a]N[5,6a]O)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[6a]C[5,6a])(S[5a]C[5,5a]){1|N<3>,1|O<1>,3|C<4>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5,5a]C[5,5a]C[5]){2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]N[6a]S[5a])(C[6a]N[5,6a]O){1|C<3>,2|H<1>,3|C<4>}	112.0590	0.000	1	112.0590	0.000	1	112.0590	0.000	1	111.8333	0.905	71	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a]){1|C<3>,1|C<4>,1|O<1>,2|N<3>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C){1|C<4>,2|C<3>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C)(C[6a]N[6a]O){3|C<3>}	111.5470	0.000	1	111.3008	0.067	5	112.2575	0.912	25	111.8333	0.905	71	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a]){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C){1|C<4>,2|C<3>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C)(C[6a]N[6a]O){1|C<3>,2|C<4>}	111.5170	0.000	1	111.3008	0.067	5	112.2575	0.912	25	111.8333	0.905	71	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a]){1|O<1>,2|C<4>,2|N<3>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C){1|C<4>,2|C<3>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C)(C[6a]N[6a]O){1|C<4>,2|C<3>}	111.1467	0.211	3	111.3008	0.067	5	112.2575	0.912	25	111.8333	0.905	71	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C)(C[6a]O[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a]){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C){1|C<4>,2|C<3>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C)(C[6a]O[6a]O){1|C<3>,1|C<4>}	111.0350	0.000	1	111.0350	0.000	1	112.2575	0.912	25	111.8333	0.905	71	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){5|C<3>}	112.4030	0.730	3	112.4030	0.533	3	112.2575	0.912	25	111.8333	0.905	71	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]H)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a]){1|C<4>,1|H<1>,1|O<1>,2|N<3>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<4>,2|C<3>}	110.9800	0.000	1	110.9800	0.000	1	112.2575	0.912	25	111.8333	0.905	71	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a]){1|C<2>,1|C<4>,1|N<3>,2|C<3>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C){1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]2){1|C<2>,4|C<3>}	113.7970	0.298	2	113.3082	0.356	5	112.2575	0.912	25	111.8333	0.905	71	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a]){1|C<4>,1|N<3>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C){1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]2){5|C<3>}	113.0580	0.000	1	113.3082	0.356	5	112.2575	0.912	25	111.8333	0.905	71	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a]){1|N<3>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C){1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]2){1|H<1>,4|C<3>}	113.4600	0.000	1	113.3082	0.356	5	112.2575	0.912	25	111.8333	0.905	71	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a]){1|N<3>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C){1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]2){5|C<3>}	112.4290	0.000	1	113.3082	0.356	5	112.2575	0.912	25	111.8333	0.905	71	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a]){1|C<2>,1|C<3>,1|N<3>,2|C<4>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C){1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]C){1|C<2>,1|C<3>,1|H<1>}	113.3610	0.000	1	113.3633	0.174	3	112.2575	0.912	25	111.8333	0.905	71	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a]){1|C<4>,1|N<3>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C){1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]C){3|C<3>}	113.3645	0.590	2	113.3633	0.174	3	112.2575	0.912	25	111.8333	0.905	71	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a]){1|H<1>,1|N<3>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C){1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|H<1>,2|C<3>}	111.9235	0.105	2	112.3047	0.199	4	112.2575	0.912	25	111.8333	0.905	71	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C){1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|H<1>,2|C<3>}	112.6860	0.069	2	112.3047	0.199	4	112.2575	0.912	25	111.8333	0.905	71	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a]){2|C<3>,3|N<3>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C){1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]N){1|H<1>,2|C<3>}	111.6660	0.000	1	111.6660	0.000	1	112.2575	0.912	25	111.8333	0.905	71	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]H)(C[6a]N[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]H)(C[6a]N[6a]C){2|C<3>}	111.6310	0.000	1	111.6310	0.000	1	112.2575	0.912	25	111.8333	0.905	71	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]H)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a]){1|N<3>,1|O<1>,1|O<2>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<3>,2|H<1>}	111.5630	0.000	1	111.5630	0.000	1	112.2575	0.912	25	111.8333	0.905	71	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[5a,6a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[5a,6a])(S[5a]C[5a]){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<4>,1|N<2>,3|C<3>}	111.4710	0.369	2	111.4710	0.136	2	111.9050	0.921	4	111.8333	0.905	71	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]I)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a])(S[5a]C[5a]){1|I<1>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H){1|I<1>,2|C<3>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]I){1|H<1>,2|C<3>}	111.3710	0.000	1	111.3710	0.000	1	111.9050	0.921	4	111.8333	0.905	71	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a])(S[5a]C[5a]){1|H<1>,2|C<3>,2|N<2>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N){1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]N){1|N<2>,2|C<3>}	113.3070	0.000	1	113.3070	0.000	1	111.9050	0.921	4	111.8333	0.905	71	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[6a]C[6a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[6a]C[6a])(S[5a]C[5a]){1|C<3>,1|N<2>,3|C<4>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C){1|C<4>,2|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C){1|C<4>,3|C<3>}	110.9157	0.508	3	110.9157	0.258	3	111.0815	0.282	4	111.8333	0.905	71	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[6a]N[6a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[6a]S[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[6a]N[6a])(S[5a]C[5a]){2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<2>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[6a]S[5a])(C[5a]C[5a]H){1|N<2>,2|C<3>,2|H<1>}	111.5790	0.000	1	111.5790	0.000	1	111.0815	0.282	4	111.8333	0.905	71	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]N[5a])	S[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]N[5a]){1|C<3>,1|O<1>,3|C<4>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C){1|O<1>,2|C<3>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]C){1|C<3>,1|C<4>,1|H<1>}	112.6866	0.459	5	112.6866	0.211	5	112.6866	0.211	5	111.8333	0.905	71	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5,5a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(N[6a]C[6a])	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5,5a]C[5,5a]C[5])	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(N[6a]C[6a]){1|O<1>,2|C<4>,2|N<3>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5,5a]C[5,5a]C[5]){2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O){2|C<3>,2|C<4>,2|H<1>}	111.5340	0.000	1	111.5340	0.000	1	111.5340	0.000	1	111.8333	0.905	71	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a])	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[6])	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]C[6])	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<4>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[6]){2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]C[6]){1|C<2>,1|C<3>,2|H<1>,4|C<4>}	112.6140	0.000	1	112.6140	0.000	1	111.2951	0.365	26	111.8333	0.905	71	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a])	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[6])	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]N[6])	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<4>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[6]){2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]N[6]){1|C<3>,2|H<1>,4|C<4>}	111.7485	0.112	2	111.7485	0.013	2	111.2951	0.365	26	111.8333	0.905	71	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a])	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[6])	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a]){1|C<3>,1|N<2>,1|O<2>,2|C<4>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[6]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O){1|C<3>,2|C<4>,2|H<1>}	111.4000	0.000	1	111.2039	0.337	21	111.2951	0.365	26	111.8333	0.905	71	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a])	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[6])	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a]){1|H<1>,1|N<2>,1|O<2>,2|C<4>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[6]){2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O){1|C<3>,2|C<4>,2|H<1>}	111.1080	0.000	1	111.2039	0.337	21	111.2951	0.365	26	111.8333	0.905	71	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a])	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[6])	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[6]){2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	111.4960	0.000	1	111.2039	0.337	21	111.2951	0.365	26	111.8333	0.905	71	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a])	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[6])	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a]){1|N<2>,1|N<3>,1|O<2>,2|C<4>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[6]){2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O){1|C<3>,2|C<4>,2|H<1>}	111.2300	0.000	1	111.2039	0.337	21	111.2951	0.365	26	111.8333	0.905	71	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a])	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[6])	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a]){1|N<2>,1|O<2>,1|S<2>,2|C<4>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[6]){2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O){1|C<3>,2|C<4>,2|H<1>}	111.0400	0.041	2	111.2039	0.337	21	111.2951	0.365	26	111.8333	0.905	71	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a])	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[6])	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a]){1|N<3>,1|O<1>,1|O<2>,2|C<4>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[6]){2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O){1|C<3>,2|H<1>,3|C<4>}	111.9220	0.778	3	111.2039	0.337	21	111.2951	0.365	26	111.8333	0.905	71	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a])	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[6])	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a]){1|N<3>,1|O<1>,1|S<2>,2|C<4>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[6]){2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	111.7430	0.000	1	111.2039	0.337	21	111.2951	0.365	26	111.8333	0.905	71	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a])	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[6])	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a]){1|N<3>,1|O<1>,3|C<4>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[6]){2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	109.6800	0.000	1	111.2039	0.337	21	111.2951	0.365	26	111.8333	0.905	71	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a])	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[6])	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a]){1|O<1>,2|C<4>,2|N<3>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[6]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O){2|C<3>,2|C<4>,2|H<1>}	111.2230	0.354	5	111.2039	0.337	21	111.2951	0.365	26	111.8333	0.905	71	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a])	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[6])	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a]){1|O<1>,2|C<4>,2|N<3>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[6]){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O){2|C<3>,2|C<4>,2|H<1>}	110.9487	0.244	3	111.2039	0.337	21	111.2951	0.365	26	111.8333	0.905	71	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a])	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[6])	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a]){1|O<1>,2|C<4>,2|N<3>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[6]){2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O){1|C<3>,2|H<1>,3|C<4>}	110.9090	0.429	2	111.2039	0.337	21	111.2951	0.365	26	111.8333	0.905	71	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a])	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[6])	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]O[6a]O)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a]){1|N<3>,1|O<1>,1|O<2>,2|C<4>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[6]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]O[6a]O){1|C<3>,2|C<4>,2|H<1>}	111.1000	0.000	1	111.1000	0.000	1	111.2951	0.365	26	111.8333	0.905	71	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a])	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[6])	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]S[6a]O)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a]){1|N<3>,1|O<1>,1|S<2>,2|C<4>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[6]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]S[6a]O){1|C<3>,2|C<4>,2|H<1>}	111.1800	0.000	1	111.1800	0.000	1	111.2951	0.365	26	111.8333	0.905	71	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a,6])(S[5a]C[5a,6])(N[6a]C[6a])	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[6])	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[5a,6])(S[5a]C[5a,6])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<4>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[6]){2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a]){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	110.9860	0.000	1	110.9860	0.000	1	110.9860	0.000	1	111.8333	0.905	71	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a,6]-3:	C[6a,6a]-3:C[5a,6]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(S[5a]C[5a,6])(N[6a]C[6a])	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[6])	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(S[5a]C[5a,6])(N[6a]C[6a]){1|C<3>,1|N<2>,3|C<4>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[6]){2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a]){2|C<4>,2|H<1>,3|C<3>}	110.5240	0.000	1	110.5240	0.000	1	110.5240	0.000	1	111.8333	0.905	71	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:S[6a]-2:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(S[6a]C[6a,6a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]S[6a])(C[5a]C[5a]N)	C[5a,6a](C[5a,6a]S[5a]S[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a,6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(S[6a]C[6a,6a])(S[5a]C[5a]){1|N<2>,1|O<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]S[6a])(C[5a]C[5a]N){3|C<3>}	C[5a,6a](C[5a,6a]S[5a]S[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a,6a]O){1|N<2>,4|C<3>}	114.2760	0.000	1	113.1913	0.914	3	113.1913	0.914	3	111.8333	0.905	71	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:S[6a]-2:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(S[6a]C[6a,6a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]S[6a])(C[5a]C[5a]N)	C[5a,6a](C[5a,6a]S[5a]S[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a,6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(S[6a]C[6a,6a])(S[5a]C[5a]){1|N<3>,1|O<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]S[6a])(C[5a]C[5a]N){3|C<3>}	C[5a,6a](C[5a,6a]S[5a]S[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a,6a]O){1|N<3>,4|C<3>}	112.6490	0.252	2	113.1913	0.914	3	113.1913	0.914	3	111.8333	0.905	71	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:2:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,5a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,5a]N[6a])(S[5a]C[5a,5a])(C[6a]N[6a]O)	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,5a]N[6a])(S[5a]C[5a,5a])(C[6a]N[6a]O){1|S<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a]){1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(N[6a]C[6a]){1|C<3>,1|O<1>,1|O<2>,1|S<2>,2|N<3>}	112.4130	0.000	1	112.4130	0.000	1	112.4130	0.000	1	113.5403	0.244	8	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:2:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(S[5a]C[5a,6a])(C[6a]N[6a]O)	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(S[5a]C[5a,6a])(C[6a]N[6a]O){1|C<4>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(N[6a]C[6a]){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	113.5710	0.000	1	113.7013	0.043	7	113.7013	0.043	7	113.5403	0.244	8	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:2:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(S[5a]C[5a,6a])(C[6a]N[6a]O)	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(S[5a]C[5a,6a])(C[6a]N[6a]O){4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(N[6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	113.3170	0.000	1	113.7013	0.043	7	113.7013	0.043	7	113.5403	0.244	8	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:2:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(S[5a]C[5a,6a])(C[6a]N[6a]O)	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(S[5a]C[5a,6a])(C[6a]N[6a]O){4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(N[6a]C[6a]){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	113.8042	0.099	5	113.7013	0.043	7	113.7013	0.043	7	113.5403	0.244	8	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H)	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5,5a]C[5,5a]B[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H){1|B<3>,2|C<3>,2|H<1>}	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a]){1|B<3>,1|H<1>,4|C<3>}	C[5a,6a](C[5,5a]C[5,5a]B[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	111.0080	0.000	1	111.0080	0.000	1	112.0879	0.317	14	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H)	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	112.5720	0.574	2	112.5720	0.330	2	112.0879	0.317	14	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H)	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,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[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a]){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]S[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	112.4800	0.000	1	112.5160	0.026	4	112.0879	0.317	14	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H)	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,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[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|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>}	112.5280	0.196	3	112.5160	0.026	4	112.0879	0.317	14	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H)	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5,5a]C[5,5a]P[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H){1|H<1>,1|P<4>,3|C<3>}	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|P<4>,4|C<3>}	C[5a,6a](C[5,5a]C[5,5a]P[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	111.9330	0.001	2	112.0093	0.150	4	112.0879	0.317	14	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H)	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5,5a]C[5,5a]P[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|P<4>,4|C<3>}	C[5a,6a](C[5,5a]C[5,5a]P[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	112.5480	0.000	1	112.0093	0.150	4	112.0879	0.317	14	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H)	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5,5a]C[5,5a]P[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|P<4>,4|C<3>}	C[5a,6a](C[5,5a]C[5,5a]P[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	111.6230	0.000	1	112.0093	0.150	4	112.0879	0.317	14	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H)	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5,5a]C[5,5a]S[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|S<4>,4|C<3>}	C[5a,6a](C[5,5a]C[5,5a]S[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	111.8090	0.426	2	111.8090	0.181	2	112.0879	0.317	14	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H)	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H){1|Si<4>,2|C<3>,2|H<1>}	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a]){1|Si<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	111.3600	0.000	1	111.3600	0.000	1	112.0879	0.317	14	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]C)	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]C){1|S<2>,2|C<3>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|S<2>,5|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	112.2190	0.000	1	112.2190	0.000	1	112.7706	0.237	93	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,5a]C[5a,5a]O[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]O[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	114.2920	0.000	1	113.4922	0.323	4	112.7706	0.237	93	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,5a]C[5a,5a]O[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]O[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	113.2257	0.241	3	113.4922	0.323	4	112.7706	0.237	93	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|S<2>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	112.3990	0.000	2	112.6801	0.163	79	112.7706	0.237	93	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	112.6481	0.432	21	112.6801	0.163	79	112.7706	0.237	93	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	112.7417	0.208	3	112.6801	0.163	79	112.7706	0.237	93	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	112.6251	0.210	7	112.6801	0.163	79	112.7706	0.237	93	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|H<1>,1|S<2>,1|S<4>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	112.8550	0.000	1	112.6801	0.163	79	112.7706	0.237	93	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|H<1>,1|S<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	112.7407	0.624	12	112.6801	0.163	79	112.7706	0.237	93	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	113.1270	0.342	3	112.6801	0.163	79	112.7706	0.237	93	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	112.6415	0.348	27	112.6801	0.163	79	112.7706	0.237	93	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|Si<4>,1|H<1>,1|S<2>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	112.7567	0.138	3	112.6801	0.163	79	112.7706	0.237	93	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	113.8930	0.000	1	113.8930	0.000	1	112.7706	0.237	93	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a]){1|S<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	112.9450	0.000	1	112.9450	0.000	1	112.7706	0.237	93	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	S[5a](C[5a,5a]C[5a,5a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a]){1|B<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	113.5360	0.123	3	113.5360	0.015	3	112.7706	0.237	93	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a]){2|H<1>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	114.1190	0.000	1	114.1190	0.000	1	112.7706	0.237	93	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,3|H<1>}	112.5650	0.000	1	112.5650	0.000	1	112.7706	0.237	93	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	112.8105	0.404	2	112.8105	0.163	2	112.7706	0.237	93	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]H){1|N<3>,1|S<2>,2|C<3>,2|H<1>}	113.2580	0.000	1	113.1325	0.032	2	113.1593	0.018	6	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]H){1|N<3>,1|S<2>,2|C<3>,2|H<1>}	113.0070	0.000	1	113.1325	0.032	2	113.1593	0.018	6	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	113.2650	0.105	2	113.1728	0.018	4	113.1593	0.018	6	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	113.0805	0.097	2	113.1728	0.018	4	113.1593	0.018	6	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,5a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[6a]S[5a])(C[5a,5a]C[5a,5a]2)	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|H<1>,1|S<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[6a]S[5a])(C[5a,5a]C[5a,5a]2){1|H<1>,2|S<2>,5|C<3>}	112.9075	0.073	2	112.9075	0.005	2	112.9075	0.005	2	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a,5a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a,6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[5a,5a]C[5a,5a]2)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a,6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[5a,5a]C[5a,5a]2){1|N<3>,2|H<1>,5|C<3>}	114.2782	0.337	4	114.2782	0.113	4	114.2782	0.113	4	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	S[5a](C[5a,5a]N[5a,5a]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	S[5a](C[5a,5a]N[5a,5a]C[5a,6])(C[5a,6a]C[5a,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	113.2327	0.413	3	113.2327	0.171	3	112.9573	0.216	20	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	S[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	S[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	112.5000	0.000	1	112.5000	0.000	1	112.9573	0.216	20	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	S[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	S[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>}	113.4965	0.322	2	112.9342	0.222	16	112.9573	0.216	20	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	S[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	S[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>}	112.4900	0.000	1	112.9342	0.222	16	112.9573	0.216	20	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	S[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	S[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,4|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	112.7870	0.075	2	112.9342	0.222	16	112.9573	0.216	20	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	S[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	S[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,4|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	112.6600	0.000	1	112.9342	0.222	16	112.9573	0.216	20	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	S[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	S[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,4|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|Br<1>,1|N<2>,2|C<3>,2|H<1>}	113.2890	0.000	1	112.9342	0.222	16	112.9573	0.216	20	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	S[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	S[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,4|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	112.1340	0.000	1	112.9342	0.222	16	112.9573	0.216	20	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	S[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	S[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	113.2280	0.057	2	112.9342	0.222	16	112.9573	0.216	20	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	S[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	S[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>}	113.3970	0.173	2	112.9342	0.222	16	112.9573	0.216	20	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	S[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	S[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,4|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	112.9420	0.284	2	112.9342	0.222	16	112.9573	0.216	20	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	S[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	S[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,4|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	112.5280	0.000	1	112.9342	0.222	16	112.9573	0.216	20	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	S[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	S[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,4|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	112.1450	0.000	1	112.9342	0.222	16	112.9573	0.216	20	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H)	S[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	S[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	111.7560	0.000	1	111.6507	0.031	3	111.6507	0.031	3	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H)	S[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	S[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	111.5980	0.212	2	111.6507	0.031	3	111.6507	0.031	3	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]2)	C[5a,6a](C[5,5a]C[5,5a]B[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H){1|B<3>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]2){1|B<3>,1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]B[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	111.4245	0.083	2	111.4245	0.007	2	112.4062	0.509	29	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]2)	C[5a,6a](C[5,5a]C[5,5a]P[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]2){1|H<1>,1|P<4>,1|S<2>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]P[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	112.4740	0.270	6	112.2601	0.225	10	112.4062	0.509	29	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]2)	C[5a,6a](C[5,5a]C[5,5a]P[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]2){1|H<1>,1|P<4>,1|S<2>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]P[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	111.9393	0.568	4	112.2601	0.225	10	112.4062	0.509	29	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]2)	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H){1|Si<4>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]2){1|Si<4>,1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	112.2455	1.121	2	112.2455	1.256	2	112.4062	0.509	29	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6])	C[5a,6a](C[5,5a]C[5,5a]B[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6]){1|B<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]B[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	111.9520	0.000	1	111.9520	0.000	1	112.4062	0.509	29	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	112.7660	0.000	1	112.7660	0.000	1	112.4062	0.509	29	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])	C[5a,6a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5]){1|H<1>,5|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	112.8822	0.092	5	112.8822	0.008	5	112.4062	0.509	29	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5]){1|H<1>,1|N<3>,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){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	112.9810	0.000	1	112.9470	0.002	2	112.4062	0.509	29	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5]){1|H<1>,5|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>}	112.9130	0.000	1	112.9470	0.002	2	112.4062	0.509	29	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])	C[5a,6a](C[5,5a]C[5,5a]N[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5]){1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5,5a]C[5,5a]N[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	113.9160	0.000	1	113.9160	0.000	1	112.4062	0.509	29	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])	C[5a,6a](C[5,5a]C[5,5a]O[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5,5a]C[5,5a]O[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	113.6590	0.000	1	113.6590	0.000	1	112.4062	0.509	29	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])	C[5a,6a](C[5,5a]C[5,5a]P[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5]){1|H<1>,1|P<4>,4|C<3>}	C[5a,6a](C[5,5a]C[5,5a]P[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	111.7600	0.000	1	111.7600	0.000	1	112.4062	0.509	29	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H){1|Si<4>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5]){1|Si<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	111.4250	0.655	2	111.4250	0.429	2	112.4062	0.509	29	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]S[5])	C[5a,6a](C[5,5a]C[5,5a]S[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|S<2>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]S[5]){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]S[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	112.6320	0.000	1	112.6320	0.000	1	112.4062	0.509	29	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]N[5])	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]N[5]){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,1|S<2>,2|H<1>,2|N<2>}	112.4280	0.000	1	112.4280	0.000	1	112.4280	0.000	1	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5,5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5,5a])(S[5a]C[5,5a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[5,5a]C[5,5a]2)	C[5a,6a](C[5a,6a]C[6a,6a]C[5,5a])(S[5a]C[5,5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5]){1|H<1>,6|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[5,5a]C[5,5a]2){1|C<4>,2|H<1>,5|C<3>}	112.8880	0.000	1	112.8880	0.000	1	113.0883	0.057	3	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5,5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5,5a])(S[5a]C[5,5a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]P[5])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[5,5a]C[5,5a]2)	C[5a,6a](C[5a,6a]C[6a,6a]C[5,5a])(S[5a]C[5,5a])(C[6a]C[6a]H){1|H<1>,1|P<4>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]P[5]){1|H<1>,1|O<1>,5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[5,5a]C[5,5a]2){1|P<4>,2|H<1>,5|C<3>}	113.1885	0.234	2	113.1885	0.055	2	113.0883	0.057	3	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	113.4040	0.028	2	113.4836	0.007	10	113.4048	0.160	16	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	113.4435	0.112	2	113.4836	0.007	10	113.4048	0.160	16	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	113.5343	0.089	4	113.4836	0.007	10	113.4048	0.160	16	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2){1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	113.5400	0.000	1	113.4836	0.007	10	113.4048	0.160	16	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2){1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	113.4640	0.000	1	113.4836	0.007	10	113.4048	0.160	16	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)	C[5a,6a](C[5a,5a]C[5a,5a]O[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2){1|H<1>,1|O<2>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]O[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	114.4550	0.000	1	114.4550	0.000	1	113.4048	0.160	16	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2){1|H<1>,2|S<2>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	113.2000	0.000	1	113.0370	0.124	5	113.4048	0.160	16	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	112.8790	0.000	1	113.0370	0.124	5	113.4048	0.160	16	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2){1|H<1>,2|S<2>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	113.0353	0.471	3	113.0370	0.124	5	113.4048	0.160	16	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|H<1>,1|S<2>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a]){1|H<1>,2|S<2>,4|C<3>}	112.8205	0.144	2	112.9038	0.157	4	112.9038	0.157	4	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|H<1>,1|S<2>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2){1|H<1>,2|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a]){1|H<1>,2|S<2>,4|C<3>}	112.9870	0.651	2	112.9038	0.157	4	112.9038	0.157	4	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]B[6])	C[5a,6a](C[5a,6]C[5a,6]B[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,2|B<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]B[6]){1|B<3>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6]C[5a,6]B[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|B<3>,2|H<1>,3|C<3>}	111.1865	0.424	2	111.1865	0.179	2	111.8094	0.418	27	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	111.7210	0.000	1	111.7210	0.000	1	111.8094	0.418	27	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6]){2|C<3>,2|C<4>,3|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	111.3190	0.000	1	111.3190	0.000	1	111.8094	0.418	27	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	111.3890	0.000	1	111.0392	0.062	4	111.8094	0.418	27	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6]){2|C<3>,2|C<4>,3|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	110.9740	0.000	1	111.0392	0.062	4	111.8094	0.418	27	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6]){2|C<3>,2|C<4>,3|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	110.8970	0.133	2	111.0392	0.062	4	111.8094	0.418	27	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	111.9170	0.000	1	112.2712	0.235	10	111.8094	0.418	27	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6]){1|O<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	111.9664	0.247	5	112.2712	0.235	10	111.8094	0.418	27	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6]){1|H<1>,1|O<2>,1|S<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	113.0740	0.000	1	112.2712	0.235	10	111.8094	0.418	27	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6]){1|H<1>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	112.6297	0.355	3	112.2712	0.235	10	111.8094	0.418	27	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6]){1|S<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	112.9330	0.000	1	112.9330	0.000	1	111.8094	0.418	27	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[6])	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[6]){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	111.5470	0.000	1	111.5470	0.000	1	111.8094	0.418	27	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6]){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	111.8075	0.158	2	111.8075	0.025	2	111.8094	0.418	27	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6]){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	112.0773	0.177	3	112.0773	0.031	3	111.8094	0.418	27	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]Si[6])	C[5a,6a](C[5a,6]C[5a,6]Si[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H){2|Si<4>,1|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]Si[6]){1|Si<4>,1|H<1>,2|C<4>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]Si[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|Si<4>,2|C<3>,2|C<4>,2|H<1>}	111.1225	0.537	2	111.1225	0.288	2	111.8094	0.418	27	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a,6])(S[5a]C[5a,6])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a]S[5a])(C[5a,6]C[5a,6]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a,6])(S[5a]C[5a,6])(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6]){1|C<2>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a]S[5a])(C[5a,6]C[5a,6]2){1|C<2>,1|S<2>,2|H<1>,4|C<3>}	112.3140	0.000	1	112.3140	0.000	1	112.3140	0.000	1	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]S[6])	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H){1|B<3>,1|C<3>,1|S<2>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]S[6]){1|B<3>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H){1|C<3>,1|S<2>,2|H<1>,2|N<3>}	111.0420	0.215	2	111.0420	0.046	2	111.0420	0.046	2	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]2)(S[5a]C[5a,6a])(C[6a]C[6a]C)	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)2	C[5a,6a](C[5a,6a]C[5a,6a]2)(S[5a]C[5a,6a])(C[6a]C[6a]C){1|C<4>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)2{1|C<4>,1|S<2>,6|C<3>}	111.7535	0.134	2	113.6705	2.228	6	112.8707	1.070	40	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]2)(S[5a]C[5a,6a])(C[6a]C[6a]C)	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)2	C[5a,6a](C[5a,6a]C[5a,6a]2)(S[5a]C[5a,6a])(C[6a]C[6a]C){1|C<4>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{2|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)2{1|C<4>,1|S<2>,6|C<3>}	114.6290	0.182	4	113.6705	2.228	6	112.8707	1.070	40	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]2)(S[5a]C[5a,6a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])	C[5a,6a](C[5a,6a]C[5a,6a]2)(S[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a]){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	112.8843	0.503	3	112.8843	0.253	3	112.8707	1.070	40	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]2)(S[5a]C[5a,6a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]2)(S[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2){1|S<2>,2|H<1>,5|C<3>}	112.0070	0.170	2	112.6444	0.511	7	112.8707	1.070	40	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]2)(S[5a]C[5a,6a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]2)(S[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2){1|S<2>,2|H<1>,5|C<3>}	112.8994	0.690	5	112.6444	0.511	7	112.8707	1.070	40	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]2)(S[5a]C[5a,6a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]2)(S[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2){1|H<1>,1|S<2>,6|C<3>}	112.4382	0.927	4	112.4382	0.860	4	112.8707	1.070	40	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]2)(S[5a]C[5a,6a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]2)(S[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2){1|S<2>,2|H<1>,5|C<3>}	113.4440	0.047	2	113.4440	0.002	2	112.8707	1.070	40	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]2)(S[5a]C[5a,6a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)2	C[5a,6a](C[5a,6a]C[5a,6a]2)(S[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)2{1|H<1>,1|S<2>,6|C<3>}	112.2794	0.683	14	112.7222	1.085	18	112.8707	1.070	40	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]2)(S[5a]C[5a,6a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)2	C[5a,6a](C[5a,6a]C[5a,6a]2)(S[5a]C[5a,6a])(C[6a]C[6a]H){1|Si<4>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)2{1|H<1>,1|N<3>,6|C<3>}	114.2720	0.077	4	112.7222	1.085	18	112.8707	1.070	40	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a,6a]C[6a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a,6a]C[6a,6a]2){2|H<1>,6|C<3>}	112.3070	0.000	1	112.3070	0.000	1	113.7790	4.334	2	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(S[5a]C[5a,6a])(C[6a]N[6a]O)	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a,6a]C[6a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(S[5a]C[5a,6a])(C[6a]N[6a]O){1|C<4>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	115.2510	0.000	1	115.2510	0.000	1	113.7790	4.334	2	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	112.3175	0.288	2	112.3175	0.083	2	112.7554	0.405	168	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]Br)	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]Br){2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{2|Br<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|Br<1>,2|H<1>,3|C<3>}	113.0195	0.264	2	113.0195	0.070	2	112.7554	0.405	168	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]C)	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]C){5|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]2){1|H<1>,7|C<3>}	113.3080	0.000	1	113.3080	0.000	1	112.7554	0.405	168	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]C)	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{1|C<2>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<2>,2|H<1>,3|C<3>}	113.4920	0.000	1	112.7665	0.485	10	112.7554	0.405	168	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]C)	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{2|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	112.6859	0.688	9	112.7665	0.485	10	112.7554	0.405	168	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]F)	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]F)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]F){1|C<2>,1|F<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{1|C<4>,1|F<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]F){1|C<4>,2|F<1>,3|C<3>}	114.8030	0.000	1	114.3274	0.741	7	112.7554	0.405	168	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]F)	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]F)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]F){2|F<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{1|C<4>,1|F<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]F){1|C<4>,2|F<1>,3|C<3>}	114.9975	0.173	2	114.3274	0.741	7	112.7554	0.405	168	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]F)	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]F)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]F){2|F<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{1|F<1>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]F){1|F<1>,1|H<1>,1|S<2>,3|C<3>}	113.0885	0.009	2	114.3274	0.741	7	112.7554	0.405	168	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]F)	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]F)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]F){2|F<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{2|F<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]F){3|C<3>,3|F<1>}	114.6585	0.059	2	114.3274	0.741	7	112.7554	0.405	168	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]F)	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]N[6a]F)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]F){1|N<2>,2|C<3>,2|F<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{1|F<1>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]N[6a]F){1|F<1>,1|H<1>,3|C<3>}	112.8880	0.000	1	112.8880	0.000	1	112.7554	0.405	168	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	113.3770	0.124	2	113.3770	0.015	2	112.7554	0.405	168	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	112.6510	0.000	1	112.6510	0.000	1	112.7554	0.405	168	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]B[6a,6a]C[5a,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|B<3>,1|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|B<3>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]B[6a,6a]C[5a,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	112.7725	0.046	2	112.7725	0.002	2	112.7554	0.405	168	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,4|C<3>}	112.6240	0.000	1	112.6240	0.000	1	112.7554	0.405	168	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	112.0980	0.009	3	112.0980	0.000	3	112.7554	0.405	168	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]S[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]S[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	111.9110	0.000	1	111.9110	0.000	1	112.7554	0.405	168	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){2|H<1>,4|C<3>}	112.7809	0.327	11	112.7809	0.107	11	112.7554	0.405	168	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	113.0090	0.000	1	113.0090	0.000	1	112.7554	0.405	168	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	112.6265	0.011	2	112.6420	0.000	4	112.7554	0.405	168	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	112.6575	0.011	2	112.6420	0.000	4	112.7554	0.405	168	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	112.9620	0.000	1	112.8692	0.038	5	112.7554	0.405	168	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	113.0285	0.080	2	112.8692	0.038	5	112.7554	0.405	168	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){2|H<1>,4|C<3>}	112.6635	0.018	2	112.8692	0.038	5	112.7554	0.405	168	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a]){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	113.9060	0.000	1	113.9060	0.000	1	112.7554	0.405	168	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	113.0185	0.617	2	112.8582	0.242	4	112.7554	0.405	168	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	113.0470	0.000	1	112.8582	0.242	4	112.7554	0.405	168	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	112.3490	0.000	1	112.8582	0.242	4	112.7554	0.405	168	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	112.8603	0.124	3	112.7735	0.040	4	112.7554	0.405	168	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]2){3|H<1>,5|C<3>}	112.5130	0.000	1	112.7735	0.040	4	112.7554	0.405	168	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]B[5])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|B<3>,1|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]B[5]){2|O<2>,3|C<3>,3|H<1>}	113.4140	0.000	1	113.4140	0.000	1	112.7554	0.405	168	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C){3|C<3>,3|H<1>}	112.4250	0.000	1	113.1393	0.167	6	112.7554	0.405	168	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C){3|C<3>,3|H<1>}	113.2822	0.235	5	113.1393	0.167	6	112.7554	0.405	168	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	113.3250	0.000	1	112.6237	0.251	74	112.7554	0.405	168	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	112.0870	0.000	1	112.6237	0.251	74	112.7554	0.405	168	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{1|C<2>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	113.4040	0.000	1	112.6237	0.251	74	112.7554	0.405	168	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	112.9570	0.000	1	112.6237	0.251	74	112.7554	0.405	168	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{1|F<1>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|F<1>,1|N<2>,2|C<3>,2|H<1>}	112.9350	0.000	1	112.6237	0.251	74	112.7554	0.405	168	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{1|F<1>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|F<1>,2|H<1>,3|C<3>}	113.2057	0.193	3	112.6237	0.251	74	112.7554	0.405	168	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	112.6350	0.346	2	112.6237	0.251	74	112.7554	0.405	168	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{1|H<1>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	112.5205	0.374	2	112.6237	0.251	74	112.7554	0.405	168	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{1|H<1>,1|P<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	112.3570	0.185	3	112.6237	0.251	74	112.7554	0.405	168	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	113.1695	0.083	2	112.6237	0.251	74	112.7554	0.405	168	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	112.3538	0.440	17	112.6237	0.251	74	112.7554	0.405	168	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	112.5580	0.000	1	112.6237	0.251	74	112.7554	0.405	168	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	113.3640	0.000	1	112.6237	0.251	74	112.7554	0.405	168	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|B<3>,2|H<1>,3|C<3>}	112.8030	0.000	1	112.6237	0.251	74	112.7554	0.405	168	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<2>,2|H<1>,3|C<3>}	112.8980	0.000	1	112.6237	0.251	74	112.7554	0.405	168	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	112.9080	0.000	1	112.6237	0.251	74	112.7554	0.405	168	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	112.6391	0.467	13	112.6237	0.251	74	112.7554	0.405	168	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	112.6026	0.566	22	112.6237	0.251	74	112.7554	0.405	168	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	112.5239	0.237	8	112.5239	0.056	8	112.7554	0.405	168	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){2|H<1>,4|C<3>}	112.7020	0.166	5	112.7020	0.028	5	112.7554	0.405	168	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]O)	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]O){2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{1|H<1>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	113.6875	0.042	2	113.6875	0.002	2	112.7554	0.405	168	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]P)	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]P){2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{1|H<1>,1|P<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>}	111.9030	0.614	3	112.1586	0.319	5	112.7554	0.405	168	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]P)	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]P){2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{2|P<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>}	112.5420	0.181	2	112.1586	0.319	5	112.7554	0.405	168	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]Si)	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]Si){2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{2|Si<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|Si<4>,2|H<1>,3|C<3>}	111.0870	0.083	2	111.0870	0.007	2	112.7554	0.405	168	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]N[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]N[6a]H){1|C<4>,1|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	113.3720	0.000	1	113.4550	0.014	2	112.7554	0.405	168	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]N[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	113.5380	0.000	1	113.4550	0.014	2	112.7554	0.405	168	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a]){1|H<1>,7|C<3>}	112.7740	0.165	2	112.7740	0.027	2	113.7211	1.872	7	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a]){2|H<1>,6|C<3>}	113.0337	0.169	3	113.0337	0.029	3	113.7211	1.872	7	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(S[5a]C[5a,6a])(C[6a]N[6a]O)	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(S[5a]C[5a,6a])(C[6a]N[6a]O){1|C<4>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a]){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	115.6995	0.330	2	115.6995	0.109	2	113.7211	1.872	7	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{2|H<1>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2){2|H<1>,6|C<3>}	112.6702	0.743	4	112.6702	0.552	4	112.6702	0.552	4	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	112.4010	0.000	1	112.4010	0.000	1	112.5827	0.149	3	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[6a]){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|C<3>}	112.3210	0.000	1	112.6735	0.249	2	112.5827	0.149	3	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[6a]){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	113.0260	0.000	1	112.6735	0.249	2	112.5827	0.149	3	112.7249	0.573	449	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:2:	C[5,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5,6a]C[5,6a]N[5])(C[5a,6a]C[6a]N[5a])(S[5a]S[5a])	S[5a](C[5a,6a]C[5a,6a]C[5,6a])(S[5a]N[5a])	C[5a,6a](C[5a,6a]C[5,6a]S[5a])(C[6a]C[6a]C)(N[5a]S[5a])	C[5a,6a](C[5,6a]C[5,6a]N[5])(C[5a,6a]C[6a]N[5a])(S[5a]S[5a]){1|C<3>,1|C<4>,2|S<2>}	S[5a](C[5a,6a]C[5a,6a]C[5,6a])(S[5a]N[5a]){1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5,6a]S[5a])(C[6a]C[6a]C)(N[5a]S[5a]){1|C<3>,1|H<1>,1|N<2>}	117.1180	0.000	1	117.1180	0.000	1	117.1180	0.000	1	111.0868	10.461	25	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(S[5a]N[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(S[5a]N[5a]){1|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]){3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|H<1>,2|C<3>}	107.6882	0.264	11	107.6882	0.070	11	107.6882	0.070	11	111.0868	10.461	25	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]H)(S[5a]N[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]H)(S[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]H)(S[5a]N[5a]){1|C<3>,1|H<1>,1|S<2>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]H)(S[5a]N[5a]){1|C<3>,1|H<1>,1|S<2>}	112.5465	0.272	2	112.5465	0.074	2	112.8902	0.323	6	111.0868	10.461	25	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]O)(S[5a]N[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]O)(S[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]O)(S[5a]N[5a]){1|C<3>,1|O<1>,1|S<2>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]){1|O<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]O)(S[5a]N[5a]){1|C<3>,1|O<1>,1|S<2>}	113.5025	0.484	2	113.5025	0.235	2	112.8902	0.323	6	111.0868	10.461	25	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]O)(S[5a]N[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]O)(S[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]O)(S[5a]N[5a]){1|C<3>,1|H<1>,1|O<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]){1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]O)(S[5a]N[5a]){1|C<3>,1|H<1>,1|O<2>}	112.9170	0.000	1	112.6215	0.175	2	112.8902	0.323	6	111.0868	10.461	25	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]O)(S[5a]N[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]O)(S[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]O)(S[5a]N[5a]){1|C<3>,1|H<1>,1|O<2>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]){1|O<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]O)(S[5a]N[5a]){1|C<3>,1|H<1>,1|O<1>}	112.3260	0.000	1	112.6215	0.175	2	112.8902	0.323	6	111.0868	10.461	25	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5,6a]N[5a])(C[6a]C[6a]H)(S[5a]S[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[5a,6a](C[5,6a]C[5,6a]S[5])(C[5a,6a]C[6a]S[5a])(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[5,6a]N[5a])(C[6a]C[6a]H)(S[5a]S[5a]){1|C<3>,1|C<4>,1|S<2>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){1|H<1>,2|C<3>}	C[5a,6a](C[5,6a]C[5,6a]S[5])(C[5a,6a]C[6a]S[5a])(N[5a]S[5a]){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	113.8520	0.000	1	113.8520	0.000	1	113.8520	0.000	1	111.0868	10.461	25	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]Cl)(S[5a]S[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]Cl)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]Cl)(S[5a]S[5a]){1|Cl<1>,1|C<3>,1|N<2>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){1|Cl<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]Cl)(N[5a]S[5a]){1|Cl<1>,1|C<3>,1|S<2>}	111.9780	0.000	1	111.9780	0.000	1	113.9903	1.833	4	111.0868	10.461	25	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]N)(S[5a]S[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]O)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]N)(S[5a]S[5a]){1|C<3>,1|O<1>,1|S<2>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]O)(N[5a]S[5a]){1|C<3>,1|N<2>,1|N<3>}	114.8760	0.000	1	114.8760	0.000	1	113.9903	1.833	4	111.0868	10.461	25	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]O)(S[5a]S[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]O)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]O)(S[5a]S[5a]){1|C<3>,1|O<1>,1|S<2>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){1|O<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]O)(N[5a]S[5a]){1|C<3>,1|N<2>,1|O<1>}	114.5535	0.176	2	114.5535	0.031	2	113.9903	1.833	4	111.0868	10.461	25	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:S[5a]-2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]O)(S[5a]S[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]O)(S[5a]S[5a]){1|O<1>,2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a]){1|O<2>,2|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(N[5a]S[5a]){1|H<1>,1|O<2>,3|C<3>}	114.1645	0.080	2	114.1645	0.006	2	114.1645	0.006	2	111.0868	10.461	25	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:As[5a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]As[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(As[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]As[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]As[5a]){1|C<3>,1|C<4>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(As[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]As[5a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	116.8450	0.000	1	116.8450	0.000	1	116.8450	0.000	1	111.4265	13.609	4	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]N[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]N[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]N[5a]){1|C<3>,1|N<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]N[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	109.3325	1.088	2	109.3325	1.184	2	109.3325	1.184	2	111.4265	13.609	4	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:N[6a]-3:S[5a]-2:	C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a]C[3])(S[5a]N[5a])	S[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a,6a]O)(C[5a]N[5a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a]C[3])(S[5a]N[5a]){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]){1|C<4>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a,6a]O)(C[5a]N[5a]O){1|C<4>,2|C<3>}	110.1960	0.000	1	110.1960	0.000	1	110.1960	0.000	1	111.4265	13.609	4	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|H<1>,2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]C[5a])(N[6a]C[6a]){2|C<3>,2|H<1>}	109.5270	0.229	2	109.5270	0.052	2	109.4395	0.095	8	109.4395	0.095	8	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<3>,1|H<1>,1|N<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|C<4>,2|H<1>}	109.2510	0.399	2	109.2510	0.159	2	109.4395	0.095	8	109.4395	0.095	8	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|C<4>,2|H<1>}	109.0780	0.000	1	109.0780	0.000	1	109.4395	0.095	8	109.4395	0.095	8	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|N<3>,2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|C<3>,1|H<1>,1|N<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]C[5a])(N[6a]C[6a]){1|H<1>,1|N<3>,2|C<3>}	109.6540	0.000	1	109.6540	0.000	1	109.4395	0.095	8	109.4395	0.095	8	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[6])	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|H<1>,1|N<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[6]){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]C[5a])(N[6a]C[6a]){1|H<1>,1|N<3>,2|C<3>}	109.6140	0.356	2	109.6140	0.127	2	109.4395	0.095	8	109.4395	0.095	8	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:B[5a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5,6a]C[5,6a]S[5])(C[5a,6a]C[6a]S[5a])(S[5a]B[5a])	S[5a](C[5a,6a]C[5a,6a]C[5,6a])(B[5a]S[5a]Br)	C[5a,6a](C[5a,6a]C[5,6a]S[5a])(C[6a]C[6a]H)(S[5a]B[5a])	C[5a,6a](C[5,6a]C[5,6a]S[5])(C[5a,6a]C[6a]S[5a])(S[5a]B[5a]){1|Br<1>,1|B<4>,1|C<3>,1|H<1>,1|S<3>}	S[5a](C[5a,6a]C[5a,6a]C[5,6a])(B[5a]S[5a]Br){1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5,6a]S[5a])(C[6a]C[6a]H)(S[5a]B[5a]){1|Br<1>,1|C<3>,1|H<1>,1|S<2>}	117.8900	0.000	1	117.8900	0.000	1	117.8900	0.000	1	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])2(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a]){1|S<2>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[6a]N[5a]){1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])2(N[5a]C[5a]){1|N<2>,1|S<2>,3|C<3>}	109.3750	0.000	1	109.3750	0.000	1	109.6460	0.147	2	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])2(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])2(S[5a]C[5a]){1|S<2>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[6a]N[5a]){1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a]){1|N<2>,1|S<2>,4|C<3>}	109.9170	0.000	1	109.9170	0.000	1	109.6460	0.147	2	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a]){2|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a]){2|H<1>,4|C<3>}	126.6065	0.211	2	126.6065	0.045	2	127.1190	0.810	3	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){2|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]C){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){2|H<1>,4|C<3>}	128.1440	0.000	1	128.1440	0.000	1	127.1190	0.810	3	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a]N[5a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a]N[5a])(S[5a]C[5a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[6a]N[5a]){1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	110.2375	0.863	2	110.2375	0.745	2	110.2323	0.373	3	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a]N[5a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]N[5a]N)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a]N[5a])(S[5a]C[5a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]N[5a]N){1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|H<1>,2|N<3>}	110.2220	0.000	1	110.2220	0.000	1	110.2323	0.373	3	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:S[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]N[5a]S[6a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]N[5a]S)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(N[5a]C[5a]C)(S[6a]S[6a])	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]N[5a]S[6a])(S[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,1|S<1>,1|S<2>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]N[5a]S){1|C<3>,1|C<4>,2|S<2>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(N[5a]C[5a]C)(S[6a]S[6a]){1|C<3>,1|S<1>,1|S<2>}	109.5883	0.393	4	109.5883	0.154	4	109.5883	0.154	4	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]S[6a])(C[6a,6a]C[3x6a]C[6a])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a])(S[6a]C[6a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]S[6a])(C[6a,6a]C[3x6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,5|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a])(S[6a]C[6a,6a]){1|H<1>,5|C<3>}	111.2520	0.000	1	111.2520	0.000	1	111.2520	0.000	1	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:As[5a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]As[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(As[5a]S[5a]Cl)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]As[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]As[5a]){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(As[5a]S[5a]Cl){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]As[5a]){1|Cl<1>,1|C<3>,2|H<1>}	120.6213	0.363	3	120.9942	0.366	6	120.9942	0.366	6	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:As[5a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]As[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(As[5a]S[5a]Cl)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]As[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]As[5a]){1|Cl<1>,1|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(As[5a]S[5a]Cl){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]As[5a]){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	121.3670	0.605	3	120.9942	0.366	6	120.9942	0.366	6	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:B[5a]-3:	C[5,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5,6a]S[5a])(C[6a]C[6a]H)(S[5a]B[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]S[5a]Br)	C[5a,6a](C[5,6a]C[5,6a]S[5])(C[5a,6a]C[6a]S[5a])(S[5a]B[5a])	C[5a,6a](C[5a,6a]C[5,6a]S[5a])(C[6a]C[6a]H)(S[5a]B[5a]){1|Br<1>,1|C<3>,1|H<1>,1|S<2>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]S[5a]Br){1|H<1>,2|C<3>}	C[5a,6a](C[5,6a]C[5,6a]S[5])(C[5a,6a]C[6a]S[5a])(S[5a]B[5a]){1|Br<1>,1|B<4>,1|C<3>,1|H<1>,1|S<3>}	117.1600	0.000	1	117.1600	0.000	1	117.1600	0.000	1	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:B[5a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(S[5a]B[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]S[5a]Br)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(S[5a]B[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(S[5a]B[5a]){1|Br<1>,1|C<3>,1|H<1>,1|S<2>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]S[5a]Br){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(S[5a]B[5a]){1|Br<1>,1|C<3>,1|H<1>,1|S<2>}	117.2960	0.120	2	117.2960	0.014	2	117.0524	0.153	10	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:B[5a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]B[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]B[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]B[5a]){1|B<3>,1|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]S[5a]){1|H<1>,2|C<3>,2|S<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]B[5a]){1|B<3>,1|C<3>,2|H<1>}	116.6958	0.197	4	116.6958	0.039	4	117.0524	0.153	10	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:B[5a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]B[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]S[5a]Br)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]S)(S[5a]B[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]B[5a]){1|Br<1>,1|C<3>,1|H<1>,1|S<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]S[5a]Br){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]S)(S[5a]B[5a]){1|Br<1>,1|C<3>,2|H<1>}	117.3690	0.000	1	117.3690	0.000	1	117.0524	0.153	10	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:B[5a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]S)(S[5a]B[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]S[5a]Br)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]B[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]S)(S[5a]B[5a]){1|Br<1>,1|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]S[5a]Br){1|S<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]B[5a]){1|Br<1>,1|C<3>,1|H<1>,1|S<3>}	116.9610	0.000	1	116.9610	0.000	1	117.0524	0.153	10	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:B[5a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]S)(S[5a]B[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]S[5a]Br)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]S)(S[5a]B[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]S)(S[5a]B[5a]){1|Br<1>,1|C<3>,1|H<1>,1|S<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]S[5a]Br){1|S<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]S)(S[5a]B[5a]){1|Br<1>,1|C<3>,1|H<1>,1|S<3>}	117.4095	0.506	2	117.4095	0.256	2	117.0524	0.153	10	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[6a]N[5,6a]O)(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(N[6a]C[5,6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[6a]N[5,6a]O)(S[5a]C[5a,6a]){1|C<4>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(N[6a]C[5,6a]){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	113.7420	0.000	1	113.7420	0.000	1	113.7420	0.000	1	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]Cl)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]I)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]Cl)(S[5a]C[5a]){1|C<3>,1|H<1>,1|I<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]I){1|Cl<1>,1|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|I<1>,1|N<2>}	112.4250	0.000	1	112.4250	0.000	1	112.3762	0.817	4	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]N)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]N)(S[5a]C[5a]){1|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>}	111.7220	0.068	2	111.7220	0.005	2	112.3762	0.817	4	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]N)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|N<2>,1|O<1>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]N)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	113.6360	0.000	1	113.6360	0.000	1	112.3762	0.817	4	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(S[5a]C[5a]){1|H<1>,1|O<2>,2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]){1|H<1>,1|O<2>,2|C<3>}	109.3370	0.371	2	109.3370	0.137	2	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[5a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C[5a])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[5a])(S[5a]C[5a]){1|C<4>,1|S<2>,2|C<3>,2|N<2>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C[5a])(N[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|S<2>}	109.1030	0.000	1	109.1030	0.000	1	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|H<1>,1|S<2>,2|C<3>}	110.4930	0.000	1	110.4930	0.000	1	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|H<1>,1|S<2>,2|C<3>}	109.4080	0.000	1	109.4080	0.000	1	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	109.2587	0.323	3	109.1960	0.085	4	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|H<1>,1|S<2>,2|C<3>}	109.0080	0.000	1	109.1960	0.085	4	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|C<3>,1|S<2>,2|H<1>}	108.8270	0.000	1	108.8270	0.000	1	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6,6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)(S[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6,6a]H)(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	109.2260	0.000	2	109.2260	0.000	2	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(S[5a]C[5a]){1|C<2>,1|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){5|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|S<2>,3|C<3>}	108.6040	0.000	1	108.6040	0.000	1	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,1|O<2>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|O<2>,4|C<3>}	109.0410	0.000	1	109.0410	0.000	1	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|H<1>,1|O<2>,2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	109.6740	0.000	1	109.5535	0.071	24	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|H<1>,1|O<2>,2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|H<1>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	109.1930	0.000	1	109.5535	0.071	24	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	109.8690	0.000	1	109.5535	0.071	24	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	109.6390	0.520	2	109.5535	0.071	24	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	109.6852	0.226	4	109.5535	0.071	24	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	109.3964	0.220	5	109.5535	0.071	24	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	109.5546	0.249	10	109.5535	0.071	24	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(N[5a]C[5a]){2|C<3>,2|H<1>}	109.3720	0.000	1	109.2027	0.037	3	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(N[5a]C[5a]){2|C<3>,2|H<1>}	109.1180	0.175	2	109.2027	0.037	3	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Cl<1>,1|H<1>,2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	109.4540	0.000	1	109.5061	0.213	145	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|F<1>,1|H<1>,2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	109.2675	0.176	2	109.5061	0.213	145	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,1|S<2>,2|C<3>}	108.6690	0.000	1	109.5061	0.213	145	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|H<1>,1|O<2>,2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	109.3123	0.090	3	109.5061	0.213	145	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|H<1>,1|S<4>,2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	109.1780	0.000	1	109.5061	0.213	145	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	110.0820	0.000	1	109.5061	0.213	145	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|H<1>,2|C<3>}	109.3310	0.000	1	109.5061	0.213	145	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	109.3958	0.702	8	109.5061	0.213	145	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|H<1>,2|C<3>}	109.3775	0.328	4	109.5061	0.213	145	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	109.5327	0.454	123	109.5061	0.213	145	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|F<1>,1|H<1>,1|N<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	110.0620	0.000	1	109.8410	0.098	2	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	109.6200	0.000	1	109.8410	0.098	2	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Br<1>,1|H<1>,2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	109.3665	0.588	2	109.5495	0.423	74	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<2>,1|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<2>,1|C<3>,2|H<1>}	109.4630	0.000	1	109.5495	0.423	74	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|I<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	108.7010	0.000	1	109.5495	0.423	74	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	109.4200	0.318	41	109.5495	0.423	74	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	109.7775	0.917	29	109.5495	0.423	74	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Br<1>,1|H<1>,2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5]){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	110.0060	0.000	1	109.6670	1.017	16	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5]){1|C<4>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	109.5000	0.000	1	109.6670	1.017	16	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5]){1|C<4>,1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	109.4300	0.000	1	109.6670	1.017	16	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5]){1|C<4>,1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	110.0560	0.000	1	109.6670	1.017	16	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5]){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	111.2995	0.381	2	109.6670	1.017	16	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5]){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	107.6350	0.635	2	109.6670	1.017	16	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|H<1>,1|O<2>,2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5]){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	109.7407	0.247	6	109.6670	1.017	16	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5]){1|H<1>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	109.6835	0.658	2	109.6670	1.017	16	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){1|C<2>,1|H<1>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	109.5240	0.000	1	109.2623	0.335	3	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	109.1315	0.753	2	109.2623	0.335	3	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	109.2480	0.000	1	109.2480	0.000	1	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,3|H<1>}	109.7113	0.403	3	109.7366	0.083	5	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,3|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,3|H<1>}	109.7580	0.000	1	109.7366	0.083	5	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,3|H<1>}	109.7910	0.000	1	109.7366	0.083	5	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	109.6189	0.486	8	109.6189	0.236	8	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]Cl)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]Cl)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	109.9573	0.373	3	109.9573	0.139	3	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Br<1>,1|C<3>,1|H<1>,1|N<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	109.2810	0.000	1	109.6933	0.163	129	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	110.2390	0.000	1	109.6933	0.163	129	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	109.4046	0.245	7	109.6933	0.163	129	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|F<1>,1|H<1>,1|N<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	109.9358	0.343	5	109.6933	0.163	129	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|F<1>,1|H<1>,1|N<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	109.7250	0.000	1	109.6933	0.163	129	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>}	109.6358	0.702	4	109.6933	0.163	129	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|H<1>,1|N<2>,1|S<4>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>}	108.7030	0.000	1	109.6933	0.163	129	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	109.6349	0.310	18	109.6933	0.163	129	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|H<1>,1|N<3>,1|S<4>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	109.5863	0.159	3	109.6933	0.163	129	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|H<1>,2|N<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	109.4103	0.508	3	109.6933	0.163	129	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>}	109.4750	0.537	18	109.6933	0.163	129	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	109.9683	0.181	3	109.6933	0.163	129	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	109.7666	0.319	51	109.6933	0.163	129	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>}	110.0870	0.881	2	109.6933	0.163	129	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	109.9181	0.256	7	109.6933	0.163	129	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	109.9663	0.217	4	109.6933	0.163	129	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]I)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|H<1>,1|I<1>,1|N<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]I)(N[5a]C[5a]){1|C<3>,1|H<1>,2|N<3>}	109.4515	0.510	2	109.4515	0.260	2	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]N)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|H<1>,2|N<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	109.1640	0.000	1	109.1640	0.000	1	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]O)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	109.2011	0.428	16	109.2011	0.183	16	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	110.2740	0.000	1	110.2740	0.000	1	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Br<1>,1|C<3>,1|H<1>,1|N<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5]){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	110.4420	0.000	1	110.0766	0.152	7	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	109.3870	0.000	1	110.0766	0.152	7	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5]){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	110.0390	0.000	1	110.0766	0.152	7	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|H<1>,2|N<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5]){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	110.5900	0.000	1	110.0766	0.152	7	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	110.1530	0.000	1	110.0766	0.152	7	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5]){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	109.9625	0.059	2	110.0766	0.152	7	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[6])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Br<1>,1|C<3>,1|H<1>,1|N<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[6]){1|H<1>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	109.9315	0.159	2	109.5529	0.509	10	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[6])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[6]){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	109.6945	1.957	2	109.5529	0.509	10	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[6])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[6]){1|H<1>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	109.3795	0.210	6	109.5529	0.509	10	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[6a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|F<1>,1|H<1>,1|N<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[6a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	110.8310	0.000	1	110.5170	0.381	5	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[6a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[6a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	110.4385	0.684	4	110.5170	0.381	5	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|O<2>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|O<2>,2|H<1>}	109.7078	0.178	5	109.7078	0.032	5	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|P<2>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|P<2>,2|H<1>}	109.3060	0.000	1	109.3815	0.238	10	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|P<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|P<3>,2|H<1>}	109.6270	0.348	2	109.3815	0.238	10	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|P<4>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|P<4>,2|H<1>}	109.3221	0.558	7	109.3815	0.238	10	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Br<1>,1|C<3>,1|H<1>,1|S<2>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<2>,2|H<1>}	110.0440	0.000	1	109.4540	0.170	53	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|S<1>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<1>,2|H<1>}	109.1120	0.578	2	109.4540	0.170	53	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|S<2>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<2>,2|H<1>}	109.3828	0.404	40	109.4540	0.170	53	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|S<4>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<4>,2|H<1>}	109.7483	0.234	10	109.4540	0.170	53	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]C)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]N[6a]O)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]C)(S[5a]C[5a]){1|C<4>,1|N<3>,1|O<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<3>,1|C<4>,1|N<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|N<2>,2|C<4>}	110.1530	0.000	1	109.8235	0.217	2	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]C)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]N[6a]O)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]C)(S[5a]C[5a]){1|C<4>,1|N<3>,1|O<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<3>,1|C<4>,1|N<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]N[6a]O)(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<4>}	109.4940	0.000	1	109.8235	0.217	2	109.5657	0.265	539	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|O<1>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	110.5160	0.126	3	110.5160	0.016	3	110.5160	0.016	3	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(S[5a]C[5a]){1|C<3>,1|O<1>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O){1|C<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<2>,1|C<3>,1|H<1>,1|O<1>}	117.5390	0.000	1	117.5390	0.000	1	116.4096	0.779	18	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[5])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|H<1>,1|O<1>,2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[5]){1|H<1>,2|C<3>,2|S<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|H<1>,1|O<2>,2|C<3>}	115.6715	0.303	2	115.8960	0.100	4	116.4096	0.779	18	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[5])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|H<1>,1|O<2>,2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[5]){1|H<1>,2|C<3>,2|S<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|H<1>,1|O<1>,2|C<3>}	116.1205	0.088	2	115.8960	0.100	4	116.4096	0.779	18	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<2>,1|C<3>,1|H<1>,1|O<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(S[5a]C[5a]){1|C<3>,1|O<1>,2|H<1>}	116.4090	0.000	1	116.4090	0.000	1	116.4096	0.779	18	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|H<1>,1|O<1>,1|S<2>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|H<1>,1|O<1>,1|S<2>}	116.4867	0.979	12	116.4867	0.959	12	116.4096	0.779	18	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<2>,2|N<3>,2|O<1>}	112.2900	0.000	1	112.2900	0.000	1	112.2900	0.000	1	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]Br)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Br)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]Br)(S[5a]C[5a]){1|Br<1>,1|O<2>,2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Br){1|Br<1>,2|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(N[5a]C[5a]){2|Br<1>,1|H<1>,3|C<3>}	110.1800	0.000	1	110.1800	0.000	1	109.8880	0.082	3	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|H<1>,2|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(N[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	109.7420	0.191	2	109.7420	0.036	2	109.8880	0.082	3	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a]B[5x3,5x5,20x6]N[5a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|B<6>,1|C<3>,2|H<1>}	S[5a](C[5a]B[5x3,5x5,20x6]N[5a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,2|C<3>,5|B<6>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|B<6>,1|C<3>,2|H<1>}	109.0695	0.090	2	109.0695	0.008	2	109.2433	0.095	3	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a]C[5x3,5x5,20x6]N[5a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<6>,2|H<1>}	S[5a](C[5a]C[5x3,5x5,20x6]N[5a])(C[5a,6a]C[5a,6a]C[6a]){1|C<6>,1|H<1>,2|C<3>,4|B<6>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<6>,2|H<1>}	109.5910	0.000	1	109.5910	0.000	1	109.2433	0.095	3	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(N[6a]N[6a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(S[5a]C[5a]){1|N<2>,2|C<3>,3|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(N[6a]N[6a]){1|H<1>,2|C<3>}	111.4680	0.000	1	111.4680	0.000	1	111.4680	0.000	1	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(S[5a]C[5a]){2|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a]){5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	109.3460	0.054	2	109.3460	0.003	2	109.3677	0.003	3	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[6a]O[6a]O)(N[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(S[5a]C[5a]){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a]){5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[6a]O[6a]O)(N[5a]C[5a]){3|C<3>}	109.4110	0.000	1	109.4110	0.000	1	109.3677	0.003	3	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	N[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](N[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a]N[6a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]N[5a,6a]S[5a])(C[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a]N[6a])(S[5a]C[5a]){3|C<3>,3|H<1>}	S[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a]C[5a]H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]S[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|H<1>,1|O<2>,2|C<3>}	113.6820	0.000	1	113.6820	0.000	1	113.6820	0.000	1	110.1670	5.384	608	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	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>}	S[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|H<1>,1|O<2>,2|C<3>}	112.3140	0.000	1	112.4180	0.009	3	112.4180	0.009	3	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	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>}	S[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|H<1>,1|S<2>,2|C<3>}	112.4700	0.040	2	112.4180	0.009	3	112.4180	0.009	3	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[4,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5,6a]C[5a])(C[4,6a]C[4,6a]2)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[4,6a])(C[5a]C[5a]Si)	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[5a,6a](C[5a,6a]C[5,6a]C[5a])(C[4,6a]C[4,6a]2)(S[5a]C[5a]){1|Si<4>,1|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[4,6a])(C[5a]C[5a]Si){1|H<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>}	110.9385	0.189	2	110.9385	0.036	2	110.9385	0.036	2	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[4,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[4,6a]C[4,6a]2)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[4,6a])(C[5a]C[5a]Si)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[4,6a]S[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[4,6a]C[4,6a]2)(S[5a]C[5a]){1|Si<4>,1|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[4,6a])(C[5a]C[5a]Si){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[4,6a]S[5a])(C[5a]C[5a]H){1|Si<4>,1|H<1>,1|S<2>,3|C<3>}	110.9750	0.068	2	110.9750	0.005	2	110.9750	0.005	2	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]2)(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5,6a]S[5a])(C[5,6a]C[5,6a]C[5])	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]2)(S[5a]C[5a,6a]){2|C<4>,5|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5,6a]S[5a])(C[5,6a]C[5,6a]C[5]){1|H<1>,2|C<4>,6|C<3>}	113.7220	0.122	2	113.7220	0.015	2	113.7220	0.015	2	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2)(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5,6a]S[5a])	C[5a,6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2)(S[5a]C[5a,6a]){1|C<4>,1|S<2>,5|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5,6a]S[5a]){1|H<1>,6|C<3>}	112.4070	0.000	1	112.4070	0.000	1	112.4070	0.000	1	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a,5a]){1|C<4>,1|S<2>,4|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2){1|H<1>,2|S<2>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C){1|C<4>,1|S<2>,3|C<3>}	114.2730	0.124	2	114.2730	0.015	2	114.2730	0.015	2	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]2)(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]C[5])	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]2)(S[5a]C[5a,6a]){1|C<4>,1|S<2>,5|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]C[5]){1|H<1>,2|C<4>,6|C<3>}	113.3330	0.000	1	113.3330	0.000	1	113.3330	0.000	1	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(S[5a]C[5a,6a]){1|N<3>,5|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a]){1|C<4>,1|H<1>,1|S<2>,5|C<3>}	113.6640	0.177	2	113.5263	0.072	3	113.5492	0.043	5	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(S[5a]C[5a,6a]){2|N<2>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a]){1|H<1>,2|S<2>,4|C<3>}	113.2510	0.000	1	113.5263	0.072	3	113.5492	0.043	5	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(S[5a]C[5a,6a]){6|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2){1|H<1>,1|N<3>,1|S<2>,5|C<3>}	113.5835	0.158	2	113.5835	0.025	2	113.5492	0.043	5	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a,6a]){6|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a]){1|S<2>,2|H<1>,5|C<3>}	114.2515	0.603	2	114.2515	0.364	2	114.0017	0.369	3	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]N[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a,6a]){1|N<2>,5|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]N[6a]){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	113.5020	0.000	1	113.5020	0.000	1	114.0017	0.369	3	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]2)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a,6a]){1|H<1>,5|C<3>}	S[5a](C[5a,6a]C[5a,6a]2)2{2|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	113.1710	0.391	6	113.1235	0.127	8	113.5803	0.541	12	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]2)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a,6a]){1|H<1>,5|C<3>}	S[5a](C[5a,6a]C[5a,6a]2)2{2|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	112.9810	0.270	2	113.1235	0.127	8	113.5803	0.541	12	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a,6a]){1|C<4>,5|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	114.5500	0.079	3	114.4940	0.017	4	113.5803	0.541	12	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a,6a]){1|C<4>,5|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C){1|S<2>,2|H<1>,3|C<3>}	114.3260	0.000	1	114.4940	0.017	4	113.5803	0.541	12	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	B[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]B[6a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]C)	C[5a,6a](B[6a,6a]C[5a,6a]N[6a,6a])(C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]B[6a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]C){1|B<3>,1|C<3>,1|H<1>,1|S<2>}	C[5a,6a](B[6a,6a]C[5a,6a]N[6a,6a])(C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H){1|C<4>,1|S<2>,4|C<3>}	112.9103	0.190	6	112.9103	0.036	6	112.9103	0.036	6	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:B[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6,6a]S[5a])(C[5a,6a]B[6a]C[5a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(B[6a]N[6,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6,6a]S[5a])(C[5a,6a]B[6a]C[5a])(S[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H){1|B<3>,1|C<3>,1|H<1>,1|S<2>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(B[6a]N[6,6a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	112.5150	0.017	2	112.5150	0.000	2	112.5150	0.000	2	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5,6a]C[5a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]C[5])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5,6a]C[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]C){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]C[5])(C[5a]C[5a]H){1|S<2>,2|C<3>,2|C<4>,2|F<1>}	106.8015	1.570	2	106.8015	2.466	2	110.7973	4.271	11	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5,6a]C[5a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]N[5])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5,6a]C[5a])(S[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]N[5])(C[5a]C[5a]H){1|As<3>,1|H<1>,1|N<3>,1|S<2>,2|C<3>}	111.6437	0.432	4	111.6852	0.152	9	110.7973	4.271	11	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5,6a]C[5a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]N[5])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5,6a]C[5a])(S[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]N[5])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|P<2>,1|S<2>,2|C<3>}	111.8020	0.788	2	111.6852	0.152	9	110.7973	4.271	11	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5,6a]C[5a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]N[5])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5,6a]C[5a])(S[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]N[5])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|P<3>,1|S<2>,2|C<3>}	111.6627	0.030	3	111.6852	0.152	9	110.7973	4.271	11	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]N[5a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]N[5a])(S[5a]C[5a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H){1|N<3>,1|S<2>,2|C<3>,2|H<1>}	111.6060	0.231	2	111.7710	0.059	4	111.2241	0.577	20	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]N[5a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]N[5a])(S[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	111.9360	0.117	2	111.7710	0.059	4	111.2241	0.577	20	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a]){2|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>,2|S<2>}	111.6680	0.612	2	111.6680	0.375	2	111.2241	0.577	20	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H){1|As<2>,1|H<1>,1|N<3>,1|S<2>,2|C<3>}	112.0440	0.160	2	112.0440	0.026	2	111.2241	0.577	20	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])2(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6])(C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])2(S[5a]C[5a]){1|C<4>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6])(C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H){1|B<4>,1|C<4>,4|C<3>}	111.3300	0.000	1	111.3300	0.000	1	111.2241	0.577	20	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])2(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])2(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])2(S[5a]C[5a]){1|C<4>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])2(C[5a]C[5a]H){1|C<4>,4|C<3>}	110.9600	0.362	2	110.9600	0.131	2	111.2241	0.577	20	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])2(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])2(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])2(S[5a]C[5a]){2|C<3>,2|S<2>,3|H<1>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])2(C[5a]C[5a]H){1|H<1>,4|C<3>}	110.7471	0.800	9	110.7471	0.640	9	111.2241	0.577	20	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){2|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]C){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,1|S<2>,2|C<3>}	111.5770	0.000	1	111.5770	0.000	1	112.1693	0.179	16	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	112.3640	0.052	3	112.1959	0.030	9	112.1693	0.179	16	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<3>,1|S<2>,2|H<1>}	112.1118	0.146	6	112.1959	0.030	9	112.1693	0.179	16	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){3|C<3>,3|H<1>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	112.4770	0.000	1	112.0843	0.178	3	112.1693	0.179	16	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){3|C<3>,3|H<1>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|S<2>,2|H<1>}	111.8880	0.354	2	112.0843	0.178	3	112.1693	0.179	16	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[5a,6a]2)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[5a,6a]2)(S[5a]C[5a]){1|N<3>,3|C<3>,3|H<1>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	111.3460	0.000	1	111.3460	0.000	1	112.1693	0.179	16	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[5a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]N[5a,6a]C[5a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	112.8850	0.047	2	112.8850	0.002	2	112.1693	0.179	16	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[6a,6a]C[5a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]N[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[6a,6a]C[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]C){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]N[6a])(C[5a]C[5a]H){1|C<4>,1|N<2>,1|S<2>,2|C<3>}	111.5712	0.191	6	111.5712	0.036	6	111.3639	0.200	14	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[6a,6a]C[5a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[6a,6a]C[5a])(S[5a]C[5a]){2|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]H){1|S<2>,2|H<1>,3|C<3>}	111.5970	0.051	2	111.5970	0.003	2	111.3639	0.200	14	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[6a,6a]C[5a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]N[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[6a,6a]C[5a])(S[5a]C[5a]){1|N<2>,2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]N[6a])(C[5a]C[5a]H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	111.0788	0.558	6	111.0788	0.311	6	111.3639	0.200	14	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	N[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]N[6a,6a]C[5a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]C)	C[5a,6a](N[6a,6a]B[6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]N[6a,6a]C[5a])(S[5a]C[5a]){1|B<3>,1|C<4>,1|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]C){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5a,6a](N[6a,6a]B[6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H){1|C<4>,1|S<2>,4|C<3>}	111.5207	0.115	6	111.5207	0.013	6	111.5207	0.013	6	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6,6,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6]-3:	C[6,6,6a]-3:C[5a,6]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[6,6,6a]C[5a,6])(C[6,6,6a]C[6,6,6a]C[3x6])(S[5a]C[5a,6])	S[5a](C[5a,6a]C[6,6,6a]C[5a,6a])(C[5a,6]C[5a,6]C[3x6])	C[5a,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6]C[5,6,6]C[5a,6])(C[5a,6a]C[6,6,6a]S[5a])	C[5a,6a](C[5a,6a]C[6,6,6a]C[5a,6])(C[6,6,6a]C[6,6,6a]C[3x6])(S[5a]C[5a,6]){1|H<1>,3|C<3>,4|C<4>}	S[5a](C[5a,6a]C[6,6,6a]C[5a,6a])(C[5a,6]C[5a,6]C[3x6]){2|C<4>,4|C<3>}	C[5a,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6]C[5,6,6]C[5a,6])(C[5a,6a]C[6,6,6a]S[5a]){1|H<1>,2|C<3>,6|C<4>}	112.9200	0.000	1	112.9200	0.000	1	112.9200	0.000	1	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6,6,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6,6,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[6,6,6a]C[5a,6a])(C[6,6,6a]C[6,6,6a]C[3x6])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[6,6,6a]C[5a,6a])2	C[5a,6a](C[5a,6a]C[6,6,6a]C[5a,6a])(C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[6,6,6a]S[5a])	C[5a,6a](C[5a,6a]C[6,6,6a]C[5a,6a])(C[6,6,6a]C[6,6,6a]C[3x6])(S[5a]C[5a,6a]){1|H<1>,3|C<3>,4|C<4>}	S[5a](C[5a,6a]C[6,6,6a]C[5a,6a])2{2|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[6,6,6a]C[5a,6a])(C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[6,6,6a]S[5a]){1|H<1>,3|C<3>,5|C<4>}	112.0380	1.540	2	112.0380	2.372	2	112.0380	2.372	2	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,5a]-3:C[5a,6a]-3:B[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]B[6a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a,6a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a,6a]S[5a])(B[6a]C[6a]N[6a])	C[5a,6a](C[5a,6a]C[5a,5a]B[6a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a,5a]){1|H<1>,1|N<3>,1|S<2>,4|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a,6a]){1|S<2>,2|B<3>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a,6a]S[5a])(B[6a]C[6a]N[6a]){1|H<1>,6|C<3>}	113.5660	0.000	1	113.5660	0.000	1	113.5660	0.000	1	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a,5a])	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,5a]C[5a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a,6a]S[5a])(C[6a]N[6a]C)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a,5a]){1|C<4>,1|H<1>,1|N<2>,1|S<2>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,5a]C[5a]){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a,6a]S[5a])(C[6a]N[6a]C){4|C<3>}	113.3330	0.000	1	113.3330	0.000	1	113.3330	0.000	1	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,5a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(S[5a]C[5a,5a])	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,5a]S[5a])	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[6a,6a]S[5a])(C[5a,5a]C[5a,5a]2)	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(S[5a]C[5a,5a]){2|S<2>,5|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,5a]S[5a]){5|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[6a,6a]S[5a])(C[5a,5a]C[5a,5a]2){2|S<2>,6|C<3>}	112.7541	0.639	24	112.7541	0.408	24	112.7541	0.408	24	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	B[6a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]B[6a,6a]C[5a,6a])(C[6a,6a]C[3x6a]C[6a])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](B[6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a])	C[5a,6a](C[5a,6a]B[6a,6a]C[5a,6a])(C[6a,6a]C[3x6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,6|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|B<3>,1|H<1>,4|C<3>}	C[5a,6a](B[6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a]){8|C<3>}	112.8905	0.179	2	112.8905	0.032	2	112.8905	0.032	2	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:B[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]B[6a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a])(B[6a]C[6a]N[6a])	C[5a,6a](C[5a,6a]C[5a,6a]B[6a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,1|N<3>,5|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|B<3>,1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a])(B[6a]C[6a]N[6a]){1|C<4>,1|H<1>,6|C<3>}	114.0550	0.000	1	114.0550	0.000	1	113.0623	1.015	3	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:B[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]B[6a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])2	C[5a,6a](C[5a,6a]C[5a,6a]B[6a])(C[5a,6a]C[6a,6a]S[5a])(B[6a]C[6a]N[6a])	C[5a,6a](C[5a,6a]C[5a,6a]B[6a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a,6a]){1|B<3>,1|H<1>,1|N<3>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])2{2|B<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]B[6a])(C[5a,6a]C[6a,6a]S[5a])(B[6a]C[6a]N[6a]){1|H<1>,1|N<3>,6|C<3>}	112.5660	0.742	2	112.5660	0.551	2	113.0623	1.015	3	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,6|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a]){2|H<1>,6|C<3>}	113.7440	0.000	1	113.7440	0.000	1	112.8952	0.098	10	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,6|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])2{6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,7|C<3>}	112.8009	0.102	9	112.8009	0.010	9	112.8952	0.098	10	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(S[5a]C[5a,6a]){2|H<1>,5|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a])(C[6a]C[6a,6a]H){1|H<1>,5|C<3>}	113.1940	0.000	1	113.1940	0.000	1	111.8923	2.511	4	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(S[5a]C[5a,6a]){1|H<1>,6|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	110.5235	0.173	2	110.5235	0.030	2	111.8923	2.511	4	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a,6a]){2|H<1>,5|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])2{6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	113.3280	0.000	1	113.3280	0.000	1	111.8923	2.511	4	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]2)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]2)(S[5a]C[5a]){2|H<1>,5|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H){1|S<2>,2|H<1>,3|C<3>}	109.0758	0.334	6	109.0758	0.112	6	110.6354	1.054	26	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]Br)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a]){1|Br<1>,2|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]Br){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H){1|Br<1>,1|H<1>,1|S<2>,3|C<3>}	110.5530	0.539	2	110.5530	0.290	2	110.6354	1.054	26	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a]){1|C<4>,1|F<1>,1|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	111.1975	0.139	2	111.0435	0.040	4	110.6354	1.054	26	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	110.8895	0.070	2	111.0435	0.040	4	110.6354	1.054	26	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a]){1|F<1>,2|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H){1|S<2>,2|H<1>,3|C<3>}	111.0670	0.177	2	110.9042	0.253	10	110.6354	1.054	26	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a]){2|H<1>,5|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H){1|S<2>,2|H<1>,3|C<3>}	110.0230	0.010	2	110.9042	0.253	10	110.6354	1.054	26	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a]){3|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H){1|S<2>,2|H<1>,3|C<3>}	111.1437	0.242	6	110.9042	0.253	10	110.6354	1.054	26	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]N[6a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]N[6a])(S[5a]C[5a]){1|N<2>,2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	111.9357	0.337	4	111.9357	0.113	4	110.6354	1.054	26	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a,6a]C[6a,6a]2)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a,6a]C[6a,6a]2)(S[5a]C[5a]){2|H<1>,5|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|F<1>,3|C<3>}	109.4400	0.000	1	109.4400	0.000	1	109.9080	0.438	2	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a,6a]C[6a,6a]2)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a,6a]C[6a,6a]2)(S[5a]C[5a]){2|H<1>,5|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	110.3760	0.000	1	110.3760	0.000	1	109.9080	0.438	2	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,4|C<3>}	111.2670	0.000	1	111.2670	0.000	1	111.2985	0.002	2	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(S[5a]C[5a]){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]H){2|H<1>,4|C<3>}	111.3300	0.000	1	111.3300	0.000	1	111.2985	0.002	2	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[3x6a]C[6a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)	C[5a,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]2)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[3x6a]C[6a])(S[5a]C[5a]){1|C<4>,1|H<1>,5|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C){4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]2){1|C<4>,7|C<3>}	111.5970	0.000	1	111.5970	0.000	1	111.5960	0.000	2	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[3x6a]C[6a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)	C[5a,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[3x6a]C[6a])(S[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H){1|C<4>,5|C<3>}	111.5950	0.000	1	111.5950	0.000	1	111.5960	0.000	2	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5,5a]-3:C[5a,6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5,5a])	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5,5a]){1|Si<4>,1|H<1>,3|C<3>}	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a]){1|Si<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|H<1>,1|S<2>,2|C<4>,3|C<3>}	111.3390	0.000	1	111.3390	0.000	1	111.3390	0.000	1	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a]C[5a,6a]C)(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a]C[5a,6a]C)(S[5a]C[5a,5a]){1|C<2>,1|S<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a]){1|C<2>,1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C){1|C<2>,1|S<2>,3|C<3>}	112.2470	0.000	1	112.2470	0.000	1	112.5622	0.159	32	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,5a]){1|H<1>,1|S<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|H<1>,1|S<2>,3|C<3>}	112.4920	0.649	2	112.5583	0.113	8	112.5622	0.159	32	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,5a]){1|H<1>,2|C<3>,2|S<2>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|H<1>,4|C<3>}	112.5803	0.267	6	112.5583	0.113	8	112.5622	0.159	32	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,5a]){1|H<1>,1|S<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a]){1|S<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|H<1>,1|S<2>,3|C<3>}	112.7422	0.363	5	112.7422	0.132	5	112.5622	0.159	32	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a]C[5a,6a]O)(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]O)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a]C[5a,6a]O)(S[5a]C[5a,5a]){1|O<2>,1|S<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|O<2>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]O){1|O<2>,1|S<2>,3|C<3>}	112.5510	0.277	2	112.5510	0.077	2	112.5622	0.159	32	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a]C[6a,6a]H)(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a]C[6a,6a]H)(S[5a]C[5a,5a]){1|H<1>,1|S<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H){1|H<1>,4|C<3>}	112.5291	0.466	16	112.5291	0.217	16	112.5622	0.159	32	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5,5a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5,5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]S[5])	C[5a,6a](C[5,5a]C[5,5a]S[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5,5a]){1|H<1>,2|C<3>,2|S<2>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]S[5]){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5,5a]C[5,5a]S[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|C<3>,1|C<4>,1|H<1>,2|S<2>}	111.8690	0.000	1	111.8690	0.000	1	111.8690	0.000	1	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,6])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,6]){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6]){1|C<4>,1|S<2>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	110.8870	0.000	1	110.8870	0.000	1	110.7212	0.159	4	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,6])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,6]){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6]){1|H<1>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|C<3>,1|C<4>,2|S<2>,3|H<1>}	110.4040	0.000	1	110.4040	0.000	1	110.7212	0.159	4	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,6])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,6]){1|H<1>,2|C<3>,2|S<2>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6]){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|C<3>,1|C<4>,1|H<1>,2|S<2>}	110.7970	0.580	2	110.7970	0.336	2	110.7212	0.159	4	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5,6a]C[6a])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5,6a]C[6a])(S[5a]C[5a,6a]){7|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]C[6a]){1|H<1>,7|C<3>}	113.2380	0.000	1	113.2380	0.000	1	112.4619	0.789	45	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C)(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]B[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C)(S[5a]C[5a,6a]){1|B<3>,1|C<4>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|B<3>,1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]B[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C){1|C<4>,1|N<3>,1|S<2>,3|C<3>}	111.8160	0.000	1	111.8160	0.000	1	112.4619	0.789	45	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C)(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C)(S[5a]C[5a,6a]){1|C<4>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{1|C<4>,1|F<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C){1|C<4>,1|F<1>,1|S<2>,3|C<3>}	114.1023	0.379	3	113.6850	0.792	4	112.4619	0.789	45	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C)(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C)(S[5a]C[5a,6a]){1|C<4>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	112.4330	0.000	1	113.6850	0.792	4	112.4619	0.789	45	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]F)(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]F)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]F)(S[5a]C[5a,6a]){1|F<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{1|F<1>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]F){1|F<1>,1|H<1>,1|S<2>,3|C<3>}	112.7460	0.000	1	113.7593	0.773	3	112.4619	0.789	45	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]F)(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]F)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]F)(S[5a]C[5a,6a]){1|F<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{2|F<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]F){1|S<2>,2|F<1>,3|C<3>}	114.2660	0.069	2	113.7593	0.773	3	112.4619	0.789	45	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	112.8285	0.169	4	112.8285	0.029	4	112.4619	0.789	45	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,6a]){1|H<1>,1|N<3>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){2|H<1>,4|C<3>}	112.3150	0.000	1	112.5810	0.350	5	112.4619	0.789	45	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|N<3>,2|H<1>,3|C<3>}	112.8180	0.936	2	112.5810	0.350	5	112.4619	0.789	45	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|S<2>,2|H<1>,3|C<3>}	112.4770	0.564	2	112.5810	0.350	5	112.4619	0.789	45	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]C[6a])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]C[6a])(S[5a]C[5a,6a]){1|S<2>,2|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	111.7210	0.000	1	111.7210	0.000	1	112.4619	0.789	45	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[5a])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[5a])(S[5a]C[5a,6a]){1|H<1>,6|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H){1|H<1>,5|C<3>}	113.0440	0.000	1	113.0440	0.000	1	112.4619	0.789	45	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,6|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H){1|H<1>,5|C<3>}	111.8462	0.037	4	111.8462	0.001	4	112.4619	0.789	45	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H){2|H<1>,4|C<3>}	112.3441	0.337	8	112.3441	0.113	8	112.4619	0.789	45	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[5])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[5])(S[5a]C[5a,6a]){2|H<1>,5|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	112.1532	0.239	4	112.1532	0.057	4	112.4619	0.789	45	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[6])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[6])(S[5a]C[5a,6a]){1|N<3>,2|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	111.9770	0.000	1	111.5200	1.034	7	112.4619	0.789	45	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[6])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[6])(S[5a]C[5a,6a]){1|Pt<4>,1|H<1>,1|N<3>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	110.7722	0.378	4	111.5200	1.034	7	112.4619	0.789	45	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[6])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[6])(S[5a]C[5a,6a]){2|H<1>,5|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	112.7870	0.342	2	111.5200	1.034	7	112.4619	0.789	45	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[5])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[5])(S[5a]C[5a,6a]){2|H<1>,5|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])2{1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	112.6700	0.552	2	112.6700	0.304	2	112.4619	0.789	45	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5,6a]C[5a])(C[6a]C[6,6a]Cl)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5,6a]C[5,6,6a]C[5,5a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5,6a]C[5a])(C[6a]C[6,6a]Cl)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|Cl<1>,1|H<1>,2|C<3>}	C[5a,6a](C[5,6a]C[5,6,6a]C[5,5a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H){1|Cl<1>,1|C<4>,1|H<1>,1|S<2>,2|C<3>}	111.1660	0.000	1	111.1660	0.000	1	110.1820	1.350	4	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5,6a]C[5a])(C[6a]C[6a]C)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5,6a]C[5a])(C[6a]C[6a]C)(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H){2|C<3>,2|F<1>,3|C<4>}	109.2150	0.556	2	109.2150	0.309	2	110.1820	1.350	4	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5,6a]C[5a])(C[6a]C[6a]C)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5,6a]C[5a])(C[6a]C[6a]C)(S[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	111.1320	0.000	1	111.1320	0.000	1	110.1820	1.350	4	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Br)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]Br)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(S[5a]C[5a]){2|Br<1>,1|C<4>,2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Br){1|Br<1>,1|C<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]Br){1|Br<1>,1|C<4>,1|H<1>,1|S<2>,2|C<3>}	111.2320	0.000	1	111.2320	0.000	1	111.4537	0.589	15	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Br)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(S[5a]C[5a]){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Br){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H){2|Br<1>,1|C<4>,1|S<2>,2|C<3>}	110.7980	0.000	1	110.7980	0.000	1	111.4537	0.589	15	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a,6])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<2>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a,6])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H){1|C<2>,1|H<1>,1|S<2>,3|C<3>}	110.7750	0.000	1	110.7750	0.000	1	111.4537	0.589	15	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5]){1|H<1>,2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)(C[5a]C[5a]C){1|H<1>,1|S<2>,4|C<3>}	112.5533	0.305	3	112.5533	0.093	3	111.4537	0.589	15	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	110.6715	0.149	2	110.6715	0.022	2	111.4537	0.589	15	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H){1|S<2>,2|H<1>,3|C<3>}	111.3728	0.738	5	111.3728	0.545	5	111.4537	0.589	15	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|P<4>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H){1|H<1>,1|P<4>,1|S<2>,3|C<3>}	111.5670	0.110	2	111.5670	0.012	2	111.4537	0.589	15	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(S[5a]C[5a]){7|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){6|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|S<2>,7|C<3>}	111.6740	0.000	1	111.6740	0.000	1	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(S[5a]C[5a]){1|H<1>,1|O<2>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<2>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]O){1|C<2>,1|H<1>,2|C<3>}	110.8680	0.000	1	110.8680	0.000	1	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]B[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|B<4>,1|C<3>,3|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]B[5a]C[5a]){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|B<4>,1|C<3>,2|H<1>}	111.5195	0.626	4	111.5195	0.392	4	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2){1|H<1>,1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	111.5160	0.000	1	111.4577	0.011	7	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	111.3680	0.093	2	111.4577	0.011	7	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){2|H<1>,4|C<3>}	111.4880	0.107	4	111.4577	0.011	7	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2){1|H<1>,1|N<2>,4|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>}	111.4675	0.330	2	111.4675	0.109	2	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	110.9410	0.470	2	110.9410	0.220	2	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	111.7280	0.000	1	111.9940	1.730	4	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2){1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	111.2680	0.000	1	111.9940	1.730	4	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2){1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	111.0580	0.000	1	111.9940	1.730	4	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2){1|S<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	113.9220	0.000	1	111.9940	1.730	4	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,2|H<1>}	114.3390	1.459	4	113.6932	3.683	5	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,2|H<1>}	111.1100	0.000	1	113.6932	3.683	5	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]Sn)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Sn<4>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2){1|Sn<4>,1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]Sn)(C[6a]C[6a]H){2|C<3>,2|H<1>}	110.9245	0.144	2	110.9245	0.021	2	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	111.0505	0.211	2	111.1212	0.607	5	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	110.8230	1.286	2	111.1212	0.607	5	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){2|H<1>,4|C<3>}	111.8590	0.000	1	111.1212	0.607	5	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<2>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	111.4293	0.268	3	111.8542	0.267	15	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,2|C<2>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<2>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,2|H<1>}	111.8340	0.000	1	111.8542	0.267	15	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	111.4710	0.000	1	111.8542	0.267	15	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	111.6660	0.423	2	111.8542	0.267	15	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	111.9987	0.487	7	111.8542	0.267	15	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	112.8970	0.000	1	111.8542	0.267	15	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	111.3650	0.339	4	111.2700	0.880	29	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|Fe<10>,2|C<3>,2|C<4>,2|H<1>}	111.7120	0.000	1	111.2700	0.880	29	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	111.2358	1.022	24	111.2700	0.880	29	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	111.7980	0.000	1	111.7980	0.000	1	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Cl<1>,1|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|Cl<1>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H){2|C<3>,2|H<1>}	111.9440	0.393	2	112.0760	0.545	5	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Cl<1>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|Cl<1>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H){2|C<3>,2|H<1>}	112.1640	0.992	3	112.0760	0.545	5	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	111.5522	0.387	17	111.6279	0.123	34	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>}	111.5380	0.000	1	111.6279	0.123	34	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	111.7139	0.311	16	111.6279	0.123	34	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]N)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|O<1>,2|C<3>,2|N<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]N)(C[6a]N[6a]O){1|H<1>,1|N<3>,2|C<3>}	112.5180	0.000	1	112.5180	0.000	1	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	110.9810	0.000	1	112.2305	0.457	10	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	111.4120	0.000	1	112.2305	0.457	10	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){1|F<1>,1|H<1>,2|C<3>}	112.0320	0.000	1	112.2305	0.457	10	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){2|C<3>,2|H<1>}	112.5543	0.429	7	112.2305	0.457	10	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]O)(C[6a]O[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|O<1>,2|C<3>,2|O<2>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]O)(C[6a]O[6a]O){1|H<1>,2|C<3>}	112.0440	0.000	1	112.0440	0.000	1	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]P)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|P<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]P)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	111.7697	0.365	12	111.8279	0.204	16	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]P)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|P<4>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|P<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]P)(C[6a]C[6a]H){2|C<3>,2|H<1>}	112.0025	0.691	4	111.8279	0.204	16	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]Pt)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Pt<6>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|Pt<6>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]Pt)(C[6a]C[6a]H){2|C<3>,2|H<1>}	113.1615	0.412	2	113.1615	0.170	2	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	111.2750	0.000	1	111.2750	0.000	1	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[3])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]B)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[3]){1|B<4>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]B)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	111.5260	0.000	1	111.5260	0.000	1	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[3])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[3]){2|C<3>,2|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	110.5480	0.000	1	110.5480	0.000	1	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5]){1|H<1>,2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	111.3945	0.598	2	111.5760	0.277	3	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5]){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	111.9390	0.000	1	111.5760	0.277	3	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	111.3580	0.000	1	111.3580	0.000	1	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5]){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,2|H<1>}	114.5380	0.178	2	114.5380	0.032	2	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	111.5570	0.000	1	111.9948	0.385	5	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6]){1|C<4>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	111.5670	0.000	1	111.9948	0.385	5	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6]){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	113.0160	0.000	1	111.9948	0.385	5	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6]){1|N<2>,1|S<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	111.6820	0.000	1	111.9948	0.385	5	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6]){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	112.1520	0.000	1	111.9948	0.385	5	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]Ir)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Ir<6>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6]){1|Ir<6>,1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]Ir)(C[6a]C[6a]H){2|C<3>,2|H<1>}	111.7914	0.732	13	111.8923	0.485	16	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]Ir)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Ir<7>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6]){1|Ir<7>,1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]Ir)(C[6a]C[6a]H){2|C<3>,2|H<1>}	112.3293	0.260	3	111.8923	0.485	16	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]Pd)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Pd<4>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6]){1|Pd<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]Pd)(C[6a]C[6a]H){2|C<3>,2|H<1>}	112.1425	0.153	2	112.1425	0.024	2	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]Pt)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Pt<4>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6]){1|Pt<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]Pt)(C[6a]C[6a]H){2|C<3>,2|H<1>}	111.5290	0.000	1	111.5290	0.000	1	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,2|C<3>}	110.9990	0.000	2	111.1770	0.061	5	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	111.1080	0.000	1	111.1770	0.061	5	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|H<1>,1|O<2>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	111.1810	0.000	1	111.1770	0.061	5	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	111.5980	0.000	1	111.1770	0.061	5	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	111.0930	0.000	1	111.1620	0.072	4	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|F<1>,1|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	111.0000	0.064	2	111.1620	0.072	4	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	111.5550	0.000	1	111.1620	0.072	4	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	112.8590	1.591	2	112.8590	2.531	2	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,2|H<1>}	111.8700	0.000	1	111.8700	0.000	1	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|S<2>,3|H<1>}	111.6690	0.000	1	111.4693	0.068	4	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	111.4027	0.273	3	111.4693	0.068	4	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	111.7124	1.173	8	111.5951	0.773	15	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|H<1>}	111.1360	0.000	1	111.5951	0.773	15	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	111.5152	0.405	6	111.5951	0.773	15	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|Fe<10>,1|C<3>,2|C<4>,3|H<1>}	111.3940	0.000	1	110.7587	0.645	4	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	111.1890	0.000	1	110.7587	0.645	4	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|Fe<10>,1|C<3>,2|C<4>,3|H<1>}	110.2260	0.882	2	110.7587	0.645	4	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]O){1|Fe<10>,1|C<3>,2|C<4>,3|H<1>}	111.4015	0.360	2	111.4015	0.130	2	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	111.0370	0.000	1	111.1240	0.015	2	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){3|C<3>,3|H<1>}	111.2110	0.000	1	111.1240	0.015	2	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	111.9875	0.097	2	111.9875	0.009	2	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]I)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|I<1>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]I){1|C<3>,1|O<2>,2|H<1>}	111.4170	0.000	1	111.4170	0.000	1	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|S<2>,3|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,3|H<1>}	111.2640	0.000	1	111.2640	0.000	1	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<2>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N){1|C<2>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	111.7940	0.000	1	112.7097	0.833	4	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<2>,1|C<3>,1|N<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N){1|C<2>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>}	112.4660	0.000	1	112.7097	0.833	4	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|H<1>}	113.9710	0.000	1	112.7097	0.833	4	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>}	112.6080	0.000	1	112.7097	0.833	4	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<2>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N){1|C<2>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	111.9460	0.000	1	111.9460	0.000	1	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	114.6850	0.000	1	114.6850	0.000	1	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|H<1>,2|C<3>,2|O<2>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	111.7480	0.000	1	111.7480	0.000	1	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|P<3>,3|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|P<3>,2|H<1>}	111.6540	0.000	1	111.6540	0.000	1	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P[5])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]P[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|P<3>,1|P<4>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P[5]){1|H<1>,1|O<1>,1|P<3>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]P[5])(C[6a]C[6a]H){1|C<3>,1|P<4>,2|C<4>,2|H<1>}	111.6270	0.000	1	111.6270	0.000	1	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Pd)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Pd<4>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Pd){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Pd<4>,1|C<3>,2|H<1>}	110.9610	0.670	5	110.9610	0.449	5	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Pt)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Pt<4>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Pt){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|Pt<4>,1|N<3>,2|C<3>,2|H<1>}	111.2910	0.000	1	111.2910	0.000	1	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,2|H<1>,2|S<4>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S){1|H<1>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|H<1>}	112.2470	0.000	1	112.2470	0.000	1	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]S)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]S)(S[5a]C[5a]){1|C<3>,1|H<1>,3|S<2>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S){2|C<3>,2|S<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|S<2>}	113.2150	0.000	1	113.2150	0.000	1	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(S[5a]C[5a]){1|C<3>,3|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|N<2>,3|H<1>}	111.5060	0.000	1	111.5060	0.000	1	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]N)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]N)(S[5a]C[5a]){2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	111.8590	0.000	1	111.8590	0.000	1	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)(S[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	112.2955	0.200	2	112.2955	0.040	2	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)(S[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	113.1465	0.153	4	113.1465	0.023	4	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)(S[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>}	112.2760	0.000	1	112.2760	0.000	1	111.7521	0.779	249	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]C)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]C)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<2>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]C[6a])(C[5a]C[5a]H){1|C<2>,1|H<1>,4|C<3>}	111.8580	0.000	1	111.8580	0.000	1	111.2245	0.608	46	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]H){1|C<3>,1|H<1>,2|C<4>}	110.4120	0.091	2	110.4120	0.008	2	111.2245	0.608	46	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]Cl)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(S[5a]C[5a]){1|Cl<1>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]Cl)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	111.1270	0.000	1	111.1270	0.000	1	111.2245	0.608	46	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]B[5])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Si)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]B[5])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]B[5])(S[5a]C[5a]){1|Si<4>,1|B<3>,1|H<1>,2|C<3>,2|O<2>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Si){1|B<3>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]B[5])(C[5a]C[5a]H){1|Si<4>,1|B<3>,1|C<3>,1|S<2>,2|O<2>}	110.2470	0.253	2	110.2470	0.064	2	111.2245	0.608	46	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C)(C[5a]C[5a]H){1|C<4>,1|S<2>,2|C<3>}	111.6090	0.000	1	111.6090	0.000	1	111.2245	0.608	46	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2){1|S<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H){1|H<1>,3|C<3>}	111.2010	0.000	1	111.2010	0.000	1	111.2245	0.608	46	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,4|C<3>}	111.5570	0.003	2	111.5570	0.000	2	111.2245	0.608	46	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	110.4887	0.467	4	111.0623	0.962	8	111.2245	0.608	46	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	110.0610	0.000	1	111.0623	0.962	8	111.2245	0.608	46	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H){1|H<1>,3|C<3>}	112.3065	0.112	2	111.0623	0.962	8	111.2245	0.608	46	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	111.8690	0.000	1	111.0623	0.962	8	111.2245	0.608	46	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){1|C<3>,1|S<2>,3|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H){2|C<3>,2|H<1>}	111.1940	0.300	2	111.1213	0.057	6	111.2245	0.608	46	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H){1|C<3>,1|S<2>,2|H<1>}	111.0850	0.245	4	111.1213	0.057	6	111.2245	0.608	46	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]S){1|C<3>,1|S<2>,2|H<1>}	111.2160	0.000	1	111.2160	0.000	1	111.2245	0.608	46	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]Se)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){1|Se<2>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|Se<2>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]Se){1|C<3>,1|S<2>,2|H<1>}	111.3520	0.000	1	111.3520	0.000	1	111.2245	0.608	46	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H){1|C<3>,1|H<1>,2|S<2>}	111.6990	0.767	3	111.6990	0.588	3	111.2245	0.608	46	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]N)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]N)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]N)(S[5a]C[5a]){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]N)(C[5a]C[5a]H){1|C<2>,1|C<3>,1|N<3>,1|S<2>}	112.4360	0.000	1	112.4360	0.000	1	111.2245	0.608	46	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]O)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]O)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]O)(S[5a]C[5a]){1|H<1>,1|O<2>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]O)(C[5a]C[5a]H){1|O<2>,1|S<2>,2|C<3>}	112.5300	0.000	1	112.5300	0.000	1	111.2245	0.608	46	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]O)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]O)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]O)(S[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]O)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|O<2>,1|S<2>}	111.3400	0.000	1	111.3400	0.000	1	111.2245	0.608	46	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]Br)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]Br)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|Br<1>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H){1|Br<1>,1|H<1>,4|C<3>}	111.3480	0.140	2	111.3480	0.020	2	111.2245	0.608	46	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]C)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]C)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,5|C<3>}	110.9540	0.000	1	110.9540	0.000	1	111.2245	0.608	46	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	110.4350	0.000	1	110.7867	0.093	3	111.2245	0.608	46	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]H){1|H<1>,3|C<3>}	110.9625	0.016	2	110.7867	0.093	3	111.2245	0.608	46	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]H){2|C<3>,2|H<1>}	110.7600	0.235	2	110.7600	0.055	2	111.2245	0.608	46	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(S[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]S){2|C<3>,2|H<1>}	111.0700	0.000	1	111.0700	0.000	1	111.2245	0.608	46	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Si)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]I)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(S[5a]C[5a]){1|Si<4>,1|H<1>,1|I<1>,2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Si){1|H<1>,1|I<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]I){1|Si<4>,1|H<1>,2|C<3>}	110.3300	0.000	1	110.3300	0.000	1	111.2245	0.608	46	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]N[6])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]N[6])(C[5a]C[5a]H){1|C<3>,2|C<4>,3|H<1>}	110.8770	0.000	1	110.8770	0.000	1	111.2245	0.608	46	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Si)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]Si)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Si)(S[5a]C[5a]){1|Si<4>,1|C<3>,1|O<2>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|Si<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]Si)(C[5a]C[5a]H){1|Si<4>,1|H<1>,2|C<3>}	110.5970	0.000	1	110.5970	0.000	1	111.2245	0.608	46	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6,6a]O)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6,6a]O)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6,6a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	113.2890	0.000	1	113.2890	0.000	1	111.2245	0.608	46	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a,6a]O)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a,6a]O)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	113.2110	0.000	1	113.2110	0.000	1	111.2245	0.608	46	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6,6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6,6a]H)(N[5a]C[5a]C){1|H<1>,1|O<1>,2|C<3>}	111.1710	0.000	1	111.1710	0.000	1	111.0359	0.215	17	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|O<1>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<3>,1|O<1>,2|H<1>}	110.7500	0.000	1	110.7500	0.000	1	111.0359	0.215	17	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]Cl)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]Cl)(N[5a]C[5a]C){1|C<3>,1|O<1>,2|H<1>}	111.0300	0.000	1	111.0300	0.000	1	111.0359	0.215	17	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,2|H<1>}	110.9477	0.523	6	111.1088	0.271	12	111.0359	0.215	17	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,2|H<1>}	111.2700	0.510	6	111.1088	0.271	12	111.0359	0.215	17	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|O<1>,3|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|O<1>,2|H<1>}	110.6765	0.169	2	110.6765	0.029	2	111.0359	0.215	17	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]C[5a]Fe)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Fe<4>,1|C<3>,1|O<1>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O){1|Fe<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]C[5a]Fe)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>}	109.9813	0.096	3	109.9813	0.009	3	109.9813	0.009	3	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(S[5a]C[5a]){1|I<1>,1|N<2>,2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H){1|H<1>,4|C<3>}	111.2720	0.000	1	111.2720	0.000	1	112.0836	1.376	10	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(S[5a]C[5a]){1|C<2>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<2>,1|H<1>,2|C<3>}	C[5a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H){2|C<2>,4|C<3>}	114.0510	0.116	2	114.0510	0.013	2	112.0836	1.376	10	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Si)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(S[5a]C[5a]){1|Si<4>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Si){1|H<1>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H){1|Si<4>,1|H<1>,4|C<3>}	110.7590	0.000	1	110.7590	0.000	1	112.0836	1.376	10	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H){2|H<1>,4|C<3>}	112.0595	0.120	2	112.0595	0.014	2	112.0836	1.376	10	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H){2|H<1>,4|C<3>}	112.0940	0.000	1	112.0940	0.000	1	112.0836	1.376	10	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H){3|C<3>,3|H<1>}	111.2780	0.000	1	111.2780	0.000	1	112.0836	1.376	10	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[6a,6a]C[6a,6a]O[6a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]O[6a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C){2|H<1>,3|C<3>}	110.8670	0.000	1	110.8670	0.000	1	112.0836	1.376	10	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]O[6a]O)(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]O[6a]O)(S[5a]C[5a]){2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	112.3450	0.000	1	112.3450	0.000	1	112.0836	1.376	10	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C[5])(S[5a]N[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C[5])(S[5a]N[5a]){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){1|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	112.6160	0.000	1	112.6160	0.000	1	112.1183	0.257	20	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]N[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]N[5a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){1|H<1>,1|O<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	111.8148	0.183	8	112.1080	0.210	12	112.1183	0.257	20	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]N[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]N[5a]){1|O<1>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){1|H<1>,1|O<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){2|C<3>,2|H<1>}	112.6945	0.068	4	112.1080	0.210	12	112.1183	0.257	20	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]N[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]N[5a]){1|O<1>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,1|O<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){2|C<3>,2|H<1>}	111.9037	0.125	3	111.9037	0.016	3	112.1183	0.257	20	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]N[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]N[5a]){1|C<3>,1|O<1>,3|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H){1|H<1>,1|O<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){1|C<3>,3|H<1>}	111.4585	0.070	2	111.4585	0.005	2	112.1183	0.257	20	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]N[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]N)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]N[5a]){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]N){1|H<1>,1|O<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>}	112.9130	0.116	2	112.9130	0.013	2	112.1183	0.257	20	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	S[5a](C[5a]B[5x3,5x5,20x6]C[5a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){1|B<6>,2|C<3>,2|H<1>}	S[5a](C[5a]B[5x3,5x5,20x6]C[5a])(C[5a,6a]C[5a,6a]C[6a]){1|C<6>,2|C<3>,2|H<1>,4|B<6>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H){1|B<6>,1|C<3>,1|H<1>,1|S<2>}	110.5170	0.422	4	110.5170	0.178	4	110.5170	0.178	4	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(S[5a]C[5a,6a]){1|H<1>,6|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a])(C[5a,6a]C[5a,6a]2){1|H<1>,1|N<3>,6|C<3>}	113.1546	0.377	11	113.1546	0.142	11	113.1546	0.142	11	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:B[6a]-3:C[5a]-3:	C[5a,6a](C[6a,6a]C[6,6a,6a]C[5a,6a])(C[5a,6a]B[6a]C[5a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(B[6a]N[6,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[6a,6a]C[6,6a,6a]C[5a,6a])(C[5a,6a]B[6a]C[5a])(S[5a]C[5a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H){1|B<3>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(B[6a]N[6,6a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,4|C<3>}	111.9405	0.120	2	111.9405	0.014	2	112.0680	0.073	6	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:B[6a]-3:C[5a]-3:	C[5a,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[5a,6a]B[6a]C[5a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(B[6a]N[6,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[5a,6a]B[6a]C[5a])(S[5a]C[5a]){1|N<3>,3|C<3>,3|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H){1|B<3>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(B[6a]N[6,6a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,4|C<3>}	112.0160	0.264	3	112.0160	0.070	3	112.0680	0.073	6	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:B[6a]-3:C[5a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]B[6a]C[5a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(B[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]B[6a]C[5a])(S[5a]C[5a]){1|N<3>,3|C<3>,3|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H){1|B<3>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(B[6a]C[6a]N[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,4|C<3>}	112.4790	0.000	1	112.4790	0.000	1	112.0680	0.073	6	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[5a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)	C[5a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[5a])(S[5a]C[5a]){1|S<2>,2|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H){1|S<2>,2|H<1>,3|C<3>}	110.3358	0.230	6	110.3358	0.053	6	110.2345	0.078	8	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[5a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]Si)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)	C[5a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[5a])(S[5a]C[5a]){1|Si<4>,1|H<1>,1|S<2>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]Si){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H){1|Si<4>,1|H<1>,1|S<2>,3|C<3>}	109.9305	0.186	2	109.9305	0.035	2	110.2345	0.078	8	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C){4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	110.5350	0.171	2	110.5350	0.029	2	111.2175	0.346	28	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){1|Cl<1>,1|C<4>,1|H<1>,1|S<2>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C){1|Cl<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	111.4035	0.284	2	111.4035	0.080	2	111.2175	0.346	28	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[5,6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[5,6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){2|H<1>,5|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	109.9640	0.000	1	109.9640	0.000	1	111.2175	0.346	28	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]Br)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]N[6a]C)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){1|Br<1>,1|C<4>,1|N<2>,2|C<3>,2|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]Br){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]N[6a]C){1|Br<1>,2|C<3>}	112.0260	0.057	2	112.0260	0.003	2	111.2175	0.346	28	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C){4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	111.2103	0.576	4	111.2103	0.332	4	111.2175	0.346	28	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|H<1>,3|C<3>}	111.9960	0.000	1	111.9960	0.000	1	111.2175	0.346	28	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){1|C<4>,3|C<3>,3|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	110.7510	0.331	3	111.2566	0.551	5	111.2175	0.346	28	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){3|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	112.0150	0.259	2	111.2566	0.551	5	111.2175	0.346	28	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){3|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	111.0735	0.503	4	111.0735	0.253	4	111.2175	0.346	28	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){1|O<2>,3|C<3>,3|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	110.6020	0.000	1	111.1914	0.119	5	111.2175	0.346	28	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){3|C<3>,4|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	111.3388	0.117	4	111.1914	0.119	5	111.2175	0.346	28	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]N[6a]C)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]N[6a]C){1|H<1>,2|C<3>}	111.6830	0.000	1	111.6830	0.000	1	111.2175	0.346	28	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]Si)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){1|Si<4>,2|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]Si){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|Si<4>,1|H<1>,2|C<3>}	111.1430	0.000	1	111.1430	0.000	1	111.2175	0.346	28	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[6a]C[6a]Br)(C[5a]C[5a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){1|Br<1>,2|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[6a]C[6a]Br)(C[5a]C[5a]H){1|H<1>,3|C<3>}	110.9300	0.000	1	110.9300	0.000	1	110.9300	0.000	1	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a,6a]C[5a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)	C[5a,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)	C[5a,6a](C[6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a,6a]C[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H){1|C<4>,5|C<3>}	111.4837	0.312	15	111.4837	0.098	15	111.5080	0.105	17	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a,6a]C[5a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)	C[5a,6a](C[6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a,6a]C[5a])(S[5a]C[5a]){1|S<2>,2|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H){1|H<1>,5|C<3>}	111.6900	0.489	2	111.6900	0.239	2	111.5080	0.105	17	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a,6a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	N[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	S[5a](C[5a,6a]C[5a,6a]N[6a,6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]N[6a,6a]S[5a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C[5a,6a](N[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){1|N<3>,2|C<3>,2|C<4>,2|O<1>}	S[5a](C[5a,6a]C[5a,6a]N[6a,6a])(C[5a]C[5a]C){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]N[6a,6a]S[5a])(C[5a]C[5a]C)(C[6a]N[6a]O){1|C<4>,1|H<1>,2|C<3>}	112.3240	0.000	1	112.3240	0.000	1	112.3240	0.000	1	111.8095	1.115	711	111.4817	3.491	1889	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5,5a]	3:2:1:	3:3:	3:3:2:	C[5,5a]-3:S[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:S[5]-2:	C[5a](C[5,5a]C[5,5a]S[5])(S[5a]C[5a])(Br)	S[5a](C[5a]C[5,5a]Br)2	C[5,5a](C[5,5a]C[5a]S[5])(C[5a]S[5a]Br)(S[5]C[5])	C[5a](C[5,5a]C[5,5a]S[5])(S[5a]C[5a])(Br){1|Br<1>,1|C<4>,1|S<2>}	S[5a](C[5a]C[5,5a]Br)2{2|S<2>}	C[5,5a](C[5,5a]C[5a]S[5])(C[5a]S[5a]Br)(S[5]C[5]){1|Br<1>,2|H<1>}	111.8890	0.115	2	111.8890	0.013	2	111.8890	0.013	2	110.5255	0.400	21	109.7234	1.743	84	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5,5a]	3:2:1:	3:3:	3:3:2:	C[5,5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:S[5]-2:	C[5a](C[5,5a]C[5,5a]S[5])(S[5a]C[5a])(H)	S[5a](C[5a]C[5,5a]H)2	C[5,5a](C[5,5a]C[5a]S[5])(C[5a]S[5a]H)(S[5]C[5])	C[5a](C[5,5a]C[5,5a]S[5])(S[5a]C[5a])(H){1|C<3>,1|H<1>,1|S<2>}	S[5a](C[5a]C[5,5a]H)2{2|S<2>}	C[5,5a](C[5,5a]C[5a]S[5])(C[5a]S[5a]H)(S[5]C[5]){1|C<3>,1|H<1>}	110.4182	0.349	15	110.4786	0.136	17	110.3820	0.216	19	110.5255	0.400	21	109.7234	1.743	84	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5,5a]	3:2:1:	3:3:	3:3:2:	C[5,5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:S[5]-2:	C[5a](C[5,5a]C[5,5a]S[5])(S[5a]C[5a])(H)	S[5a](C[5a]C[5,5a]H)2	C[5,5a](C[5,5a]C[5a]S[5])(C[5a]S[5a]H)(S[5]C[5])	C[5a](C[5,5a]C[5,5a]S[5])(S[5a]C[5a])(H){1|C<3>,1|H<1>,1|S<2>}	S[5a](C[5a]C[5,5a]H)2{2|S<2>}	C[5,5a](C[5,5a]C[5a]S[5])(C[5a]S[5a]H)(S[5]C[5]){1|H<1>,1|S<1>}	110.9320	0.065	2	110.4786	0.136	17	110.3820	0.216	19	110.5255	0.400	21	109.7234	1.743	84	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5,5a]	3:2:1:	3:3:	3:3:2:	C[5,5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:S[5]-2:	C[5a](C[5,5a]C[5,5a]S[5])(S[5a]C[5a])(H)	S[5a](C[5a]C[5,5a]H)2	C[5,5a](C[5,5a]C[5a]S[5])(C[5a]S[5a]H)(S[5]N[5])	C[5a](C[5,5a]C[5,5a]S[5])(S[5a]C[5a])(H){1|H<1>,1|N<2>,1|S<2>}	S[5a](C[5a]C[5,5a]H)2{2|S<2>}	C[5,5a](C[5,5a]C[5a]S[5])(C[5a]S[5a]H)(S[5]N[5]){1|H<1>}	109.5605	0.452	2	109.5605	0.204	2	110.3820	0.216	19	110.5255	0.400	21	109.7234	1.743	84	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5,5a]	3:2:1:	3:3:	3:3:3:	C[5,5a]-3:S[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:C[5a]-3:	C[5a](C[5,5a]C[5,5a]2)(S[5a]C[5a])(Br)	S[5a](C[5a]C[5,5a]Br)(C[5a]C[5,5a]Si)	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5a]Si[5])(C[5a]S[5a]Br)	C[5a](C[5,5a]C[5,5a]2)(S[5a]C[5a])(Br){2|Si<4>,2|C<3>}	S[5a](C[5a]C[5,5a]Br)(C[5a]C[5,5a]Si){1|Si<4>,1|C<3>}	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5a]Si[5])(C[5a]S[5a]Br){1|Si<4>,1|C<3>,1|H<1>,1|S<2>,2|C<4>}	112.5587	0.532	3	112.5587	0.283	3	112.5587	0.283	3	110.7943	2.004	18	109.7234	1.743	84	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5,5a]	3:2:1:	3:3:	3:3:3:	C[5,5a]-3:S[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5,5a]C[5,5a]C[5])(S[5a]C[5a])(Br)	S[5a](C[5a]C[5,5a]Br)2	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){1|Br<1>,1|C<3>,1|N<3>,1|O<1>}	S[5a](C[5a]C[5,5a]Br)2{2|C<3>}	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>}	109.2150	0.372	2	109.2150	0.138	2	109.2150	0.138	2	110.7943	2.004	18	109.7234	1.743	84	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5,5a]	3:2:1:	3:3:	3:3:3:	C[5,5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:C[5a]-3:	C[5a](C[5,5a]C[5,5a]2)(S[5a]C[5a])(H)	S[5a](C[5a]C[5,5a]H)(C[5a]C[5,5a]I)	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5a]P[5])(C[5a]S[5a]H)	C[5a](C[5,5a]C[5,5a]2)(S[5a]C[5a])(H){1|I<1>,1|P<4>,2|C<3>}	S[5a](C[5a]C[5,5a]H)(C[5a]C[5,5a]I){1|C<3>,1|P<4>}	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5a]P[5])(C[5a]S[5a]H){1|H<1>,1|I<1>,1|S<1>,1|S<2>,2|C<3>}	111.2190	0.434	2	111.2190	0.188	2	111.5880	0.454	4	110.7943	2.004	18	109.7234	1.743	84	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5,5a]	3:2:1:	3:3:	3:3:3:	C[5,5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:C[5a]-3:	C[5a](C[5,5a]C[5,5a]2)(S[5a]C[5a])(H)	S[5a](C[5a]C[5,5a]H)2	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5a]C[5])(C[5a]S[5a]H)	C[5a](C[5,5a]C[5,5a]2)(S[5a]C[5a])(H){1|H<1>,3|C<3>}	S[5a](C[5a]C[5,5a]H)2{2|C<3>}	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>}	111.9570	0.793	2	111.9570	0.629	2	111.5880	0.454	4	110.7943	2.004	18	109.7234	1.743	84	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5,5a]	3:2:1:	3:3:	3:3:3:	C[5,5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5a](C[5,5a]C[5,5a]C[5])(S[5a]C[5a])(H)	S[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]H)	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){4|C<3>}	S[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]H){4|C<3>}	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>}	110.4610	0.014	2	110.4610	0.000	2	110.8985	0.333	6	110.7943	2.004	18	109.7234	1.743	84	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5,5a]	3:2:1:	3:3:	3:3:3:	C[5,5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5a](C[5,5a]C[5,5a]C[5])(S[5a]C[5a])(H)	S[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]H)	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){1|O<1>,3|C<3>}	S[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]H){4|C<3>}	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>}	110.6070	0.211	2	110.6070	0.044	2	110.8985	0.333	6	110.7943	2.004	18	109.7234	1.743	84	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5,5a]	3:2:1:	3:3:	3:3:3:	C[5,5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5a](C[5,5a]C[5,5a]C[5])(S[5a]C[5a])(H)	S[5a](C[5a]C[5,5a]H)2	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){1|H<1>,1|O<1>,2|C<3>}	S[5a](C[5a]C[5,5a]H)2{2|C<3>}	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>}	111.6275	0.049	2	111.6275	0.002	2	110.8985	0.333	6	110.7943	2.004	18	109.7234	1.743	84	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5,5a]	3:2:1:	3:3:	3:3:3:	C[5,5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5,5a]C[5,5a]C[5])(S[5a]C[5a])(H)	S[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]H)	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){1|N<3>,1|O<1>,2|C<3>}	S[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]H){1|S<2>,3|C<3>}	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>}	109.8770	0.000	1	109.8770	0.000	1	109.8770	0.000	1	110.7943	2.004	18	109.7234	1.743	84	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5,5a]	3:2:1:	3:3:	3:3:3:	C[5,5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:N[5]-3:	C[5a](C[5,5a]C[5,5a]N[5])(S[5a]C[5a])(H)	S[5a](C[5a]C[5,5a]H)2	C[5,5a](C[5,5a]C[5a]N[5])(C[5a]S[5a]H)(N[5]C[5]C)	C[5a](C[5,5a]C[5,5a]N[5])(S[5a]C[5a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	S[5a](C[5a]C[5,5a]H)2{2|N<3>}	C[5,5a](C[5,5a]C[5a]N[5])(C[5a]S[5a]H)(N[5]C[5]C){1|Pd<4>,1|C<4>,1|H<1>}	108.2860	0.011	2	108.2860	0.000	2	108.2860	0.000	2	110.7943	2.004	18	109.7234	1.743	84	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5,5a]	3:2:1:	3:3:	3:3:4:	C[5,5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5a](C[5,5a]C[5,5a]C[5])(S[5a]C[5a])(H)	S[5a](C[5a]C[5,5a]H)2	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]S[5a]H)(C[5]C[5]HH)	C[5a](C[5,5a]C[5,5a]C[5])(S[5a]C[5a])(H){2|C<4>,3|H<1>}	S[5a](C[5a]C[5,5a]H)2{2|C<4>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]S[5a]H)(C[5]C[5]HH){2|C<4>,3|H<1>}	110.7070	0.000	1	110.7070	0.000	1	110.7070	0.000	1	110.7070	0.000	1	109.7234	1.743	84	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5,5a]	3:2:1:	3:3:	3:4:3:	C[5,5a]-3:S[5a]-2:I-1:	C[5a]-3:C[5a]-3:	C[5,5a]-3:P[5]-4:C[5a]-3:	C[5a](C[5,5a]C[5,5a]P[5])(S[5a]C[5a])(I)	S[5a](C[5a]C[5,5a]H)(C[5a]C[5,5a]I)	C[5,5a](C[5,5a]C[5,5a]C[5a])(P[5]C[5,5a]C[6a]S)(C[5a]S[5a]I)	C[5a](C[5,5a]C[5,5a]P[5])(S[5a]C[5a])(I){1|H<1>,1|S<1>,3|C<3>}	S[5a](C[5a]C[5,5a]H)(C[5a]C[5,5a]I){1|C<3>,1|P<4>}	C[5,5a](C[5,5a]C[5,5a]C[5a])(P[5]C[5,5a]C[6a]S)(C[5a]S[5a]I){1|H<1>,4|C<3>}	110.9845	0.312	2	110.9845	0.097	2	110.9845	0.097	2	110.9845	0.097	2	109.7234	1.743	84	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5,5a]	3:2:4:	3:3:	3:3:3:	C[5,5a]-3:S[5a]-2:Si-4:	C[5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:C[5a]-3:	C[5a](C[5,5a]C[5,5a]2)(S[5a]C[5a])(SiC3)	S[5a](C[5a]C[5,5a]Si)2	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5a]Si[5])(C[5a]S[5a]Si)	C[5a](C[5,5a]C[5,5a]2)(S[5a]C[5a])(SiC3){2|Si<4>,2|C<3>}	S[5a](C[5a]C[5,5a]Si)2{1|Si<4>,1|C<3>}	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5a]Si[5])(C[5a]S[5a]Si){1|Si<4>,1|C<3>,1|H<1>,1|S<2>,2|C<4>}	107.5900	0.607	3	107.5900	0.368	3	107.5900	0.368	3	107.6208	0.249	4	109.7234	1.743	84	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5,5a]	3:2:4:	3:3:	3:3:3:	C[5,5a]-3:S[5a]-2:Si-4:	C[5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5,5a]C[5,5a]C[5])(S[5a]C[5a])(SiC3)	S[5a](C[5a]C[5,5a]Si)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){2|Si<4>,1|C<2>,1|C<3>}	S[5a](C[5a]C[5,5a]Si)2{1|Si<4>,1|C<3>}	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>}	107.7130	0.000	1	107.7130	0.000	1	107.7130	0.000	1	107.6208	0.249	4	109.7234	1.743	84	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5,5a]	3:2:4:	3:3:	3:3:4:	C[5,5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5a](C[5,5a]C[5,5a]C[5])(S[5a]C[5a])(CCHH)	S[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]C)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]S[5a]C)(C[5]O[5]HH)	C[5a](C[5,5a]C[5,5a]C[5])(S[5a]C[5a])(CCHH){1|O<2>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]C){1|C<4>,3|C<3>}	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>}	108.1795	0.128	2	108.1795	0.016	2	108.4257	0.091	4	108.4732	0.079	5	109.7234	1.743	84	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5,5a]	3:2:4:	3:3:	3:3:4:	C[5,5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5a](C[5,5a]C[5,5a]C[5])(S[5a]C[5a])(CC[5a]CC)	S[5a](C[5a]C[5,5a]C)2	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]S[5a]C)(C[5]C[5]HH)	C[5a](C[5,5a]C[5,5a]C[5])(S[5a]C[5a])(CC[5a]CC){2|H<1>,3|C<4>}	S[5a](C[5a]C[5,5a]C)2{2|C<4>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]S[5a]C)(C[5]C[5]HH){1|C<4>,4|H<1>}	108.6720	0.117	2	108.6720	0.014	2	108.4257	0.091	4	108.4732	0.079	5	109.7234	1.743	84	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5,5a]	3:2:4:	3:3:	3:3:4:	C[5,5a]-3:S[5a]-2:Si-4:	C[5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:Si[5]-4:	C[5a](C[5,5a]C[5,5a]Si[5])(S[5a]C[5a])(SiC3)	S[5a](C[5a]C[5,5a]Si)2	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]S[5a]Si)(Si[5]C[5]CC)	C[5a](C[5,5a]C[5,5a]Si[5])(S[5a]C[5a])(SiC3){1|Si<4>,2|C<3>,2|C<4>}	S[5a](C[5a]C[5,5a]Si)2{1|Si<4>,1|C<3>}	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>}	108.6630	0.000	1	108.6630	0.000	1	108.6630	0.000	1	108.4732	0.079	5	109.7234	1.743	84	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5,5a]	3:2:4:	3:3:	3:4:3:	C[5,5a]-3:S[5a]-2:Si-4:	C[5a]-3:C[5a]-3:	C[5,5a]-3:Si[5]-4:C[5a]-3:	C[5a](C[5,5a]C[5,5a]Si[5])(S[5a]C[5a])(SiC3)	S[5a](C[5a]C[5,5a]Br)(C[5a]C[5,5a]Si)	C[5,5a](C[5,5a]C[5,5a]C[5a])(Si[5]C[5,5a]CC)(C[5a]S[5a]Si)	C[5a](C[5,5a]C[5,5a]Si[5])(S[5a]C[5a])(SiC3){1|Br<1>,2|C<3>,2|C<4>}	S[5a](C[5a]C[5,5a]Br)(C[5a]C[5,5a]Si){1|Si<4>,1|C<3>}	C[5,5a](C[5,5a]C[5,5a]C[5a])(Si[5]C[5,5a]CC)(C[5a]S[5a]Si){1|Br<1>,1|C<3>,1|S<2>}	109.5983	0.266	3	109.5983	0.071	3	109.4368	0.182	8	109.4368	0.182	8	109.7234	1.743	84	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5,5a]	3:2:4:	3:3:	3:4:3:	C[5,5a]-3:S[5a]-2:Si-4:	C[5a]-3:C[5a]-3:	C[5,5a]-3:Si[5]-4:C[5a]-3:	C[5a](C[5,5a]C[5,5a]Si[5])(S[5a]C[5a])(SiC3)	S[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]Si)	C[5,5a](C[5,5a]C[5,5a]C[5a])(Si[5]C[5,5a]CC)(C[5a]S[5a]Si)	C[5a](C[5,5a]C[5,5a]Si[5])(S[5a]C[5a])(SiC3){2|C<4>,3|C<3>}	S[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]Si){1|Si<4>,1|S<2>,2|C<3>}	C[5,5a](C[5,5a]C[5,5a]C[5a])(Si[5]C[5,5a]CC)(C[5a]S[5a]Si){1|S<2>,2|C<3>}	109.7690	0.045	2	109.7690	0.002	2	109.4368	0.182	8	109.4368	0.182	8	109.7234	1.743	84	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5,5a]	3:2:4:	3:3:	3:4:3:	C[5,5a]-3:S[5a]-2:Si-4:	C[5a]-3:C[5a]-3:	C[5,5a]-3:Si[5]-4:C[5a]-3:	C[5a](C[5,5a]C[5,5a]Si[5])(S[5a]C[5a])(SiC3)	S[5a](C[5a]C[5,5a]Si)2	C[5,5a](C[5,5a]C[5,5a]C[5a])(Si[5]C[5,5a]CC)(C[5a]S[5a]Si)	C[5a](C[5,5a]C[5,5a]Si[5])(S[5a]C[5a])(SiC3){1|Si<4>,2|C<3>,2|C<4>}	S[5a](C[5a]C[5,5a]Si)2{1|Si<4>,1|C<3>}	C[5,5a](C[5,5a]C[5,5a]C[5a])(Si[5]C[5,5a]CC)(C[5a]S[5a]Si){1|Si<4>,1|C<3>,1|S<2>}	109.0537	0.441	3	109.0537	0.195	3	109.4368	0.182	8	109.4368	0.182	8	109.7234	1.743	84	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5,5a]	3:3:2:	3:2:	3:3:3:	C[5,5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:N[5a]-2:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(S[5a]N[5a])	S[5a](C[5a]C[5,5a]C[6a])(N[5a]C[5,5a])	C[5,5a](C[5,5a]C[5,6]N[5a])(C[5a]C[6a]S[5a])(C[5]O[5]O)	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(S[5a]N[5a]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5,5a]C[6a])(N[5a]C[5,5a]){1|C<4>,3|C<3>}	C[5,5a](C[5,5a]C[5,6]N[5a])(C[5a]C[6a]S[5a])(C[5]O[5]O){2|C<3>,2|C<4>}	106.0070	0.000	1	106.0070	0.000	1	106.0070	0.000	1	106.0070	0.000	1	109.7234	1.743	84	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:3:	C[5,5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5,5a]S[5a])(S[5a]C[5a])	S[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]H)	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]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	S[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]H){1|S<2>,3|C<3>}	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>}	108.6160	0.000	1	108.6160	0.000	1	108.8981	0.143	8	108.8982	0.357	20	109.7234	1.743	84	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:3:	C[5,5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a]C[5,5a]C[5a])2	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]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	S[5a](C[5a]C[5,5a]C[5a])2{2|S<2>,4|C<3>}	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>}	108.9384	0.389	7	108.9384	0.151	7	108.8981	0.143	8	108.8982	0.357	20	109.7234	1.743	84	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:3:	C[5,5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:C[5a]-3:	C[5a](C[5,5a]C[5,5a]2)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]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[5a](C[5,5a]C[5,5a]2)(C[6a]C[6a]2)(S[5a]C[5a]){3|H<1>,5|C<3>}	S[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]H){4|C<3>}	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5a]C[5])(C[5a]C[6a]S[5a]){1|H<1>,1|O<1>,1|S<2>,4|C<3>}	109.2465	0.018	2	109.3997	0.103	4	109.3997	0.103	4	108.8982	0.357	20	109.7234	1.743	84	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:3:	C[5,5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:C[5a]-3:	C[5a](C[5,5a]C[5,5a]2)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]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[5a](C[5,5a]C[5,5a]2)(C[6a]C[6a]2)(S[5a]C[5a]){3|H<1>,5|C<3>}	S[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]H){4|C<3>}	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5a]C[5])(C[5a]C[6a]S[5a]){1|H<1>,1|S<2>,5|C<3>}	109.5530	0.464	2	109.3997	0.103	4	109.3997	0.103	4	108.8982	0.357	20	109.7234	1.743	84	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:3:	C[5,5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]C)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]S[5a])(C[5]O[5]O)	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(S[5a]C[5a]){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	S[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]C){1|C<4>,3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]S[5a])(C[5]O[5]O){1|C<4>,2|C<3>,2|H<1>}	107.9730	0.124	2	107.9730	0.015	2	108.1874	0.153	5	108.8982	0.357	20	109.7234	1.743	84	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:3:	C[5,5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5,5a]C[6a])2	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5a]C[6a]S[5a])(C[5]C[5,6a]O)	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(S[5a]C[5a]){1|O<1>,2|H<1>,5|C<3>}	S[5a](C[5a]C[5,5a]C[6a])2{6|C<3>}	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5a]C[6a]S[5a])(C[5]C[5,6a]O){5|C<3>}	108.8730	0.000	1	108.8730	0.000	1	108.1874	0.153	5	108.8982	0.357	20	109.7234	1.743	84	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:3:	C[5,5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5,5a]C[6a])2	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]S[5a])(C[5]N[5]O)	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(S[5a]C[5a]){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	S[5a](C[5a]C[5,5a]C[6a])2{6|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>}	108.0590	0.031	2	108.0590	0.001	2	108.1874	0.153	5	108.8982	0.357	20	109.7234	1.743	84	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:3:	C[5,5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5a](C[5,5a]C[5,5a]C[5,6a])(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5,5a]C[6a])2	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5a]C[6a]S[5a])	C[5a](C[5,5a]C[5,5a]C[5,6a])(C[6a]C[6a]2)(S[5a]C[5a]){2|H<1>,6|C<3>}	S[5a](C[5a]C[5,5a]C[6a])2{6|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>}	108.9190	0.000	1	108.9190	0.000	1	108.9190	0.000	1	108.8982	0.357	20	109.7234	1.743	84	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5,5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:C[5a]-3:	C[5a](C[5a]C[5,5a]S[5a])(C[5,5a]C[5,5a]2)(S[5a]C[5a])	S[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]Si)	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5a]Si[5])(C[5a]C[5a]S[5a])	C[5a](C[5a]C[5,5a]S[5a])(C[5,5a]C[5,5a]2)(S[5a]C[5a]){2|Si<4>,5|C<3>}	S[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]Si){1|Si<4>,1|S<2>,2|C<3>}	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5a]Si[5])(C[5a]C[5a]S[5a]){1|Si<4>,1|H<1>,2|C<3>,2|C<4>,2|S<2>}	109.6620	0.402	2	109.6620	0.161	2	109.6620	0.161	2	108.8982	0.357	20	109.7234	1.743	84	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:4:	C[5,5a]-3:C[5]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5a](C[5,5a]C[5,5a]C[5])(C[5]C[5,5]Si[5])(S[5a]C[5a])	S[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]C[5])	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]S[5a]C[5])(C[5]C[5]HH)	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>}	S[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]C[5]){1|Si<2>,1|S<2>,2|C<3>,2|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>}	109.1420	0.000	1	109.1420	0.000	1	109.1420	0.000	1	109.1105	0.007	4	109.7234	1.743	84	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:4:	C[5,5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5,5a]S[5a])(S[5a]C[5a])	S[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]C[5])	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]S[5a])(C[5]C[5]HH)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5,5a]S[5a])(S[5a]C[5a]){2|H<1>,3|C<3>,3|C<4>}	S[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]C[5]){1|Si<2>,1|S<2>,2|C<3>,2|C<4>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]S[5a])(C[5]C[5]HH){1|S<2>,2|C<3>,2|C<4>,2|H<1>}	109.0950	0.000	1	109.0950	0.000	1	109.0950	0.000	1	109.1105	0.007	4	109.7234	1.743	84	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5,5a]	3:3:2:	3:3:	3:3:4:	C[5,5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5,5a]C[6a])2	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]S[5a])(C[5]C[5]HH)	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(S[5a]C[5a]){2|C<4>,3|C<3>,4|H<1>}	S[5a](C[5a]C[5,5a]C[6a])2{2|C<4>,4|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]S[5a])(C[5]C[5]HH){2|C<4>,2|H<1>,3|C<3>}	109.1025	0.138	2	109.1025	0.019	2	109.1025	0.019	2	109.1105	0.007	4	109.7234	1.743	84	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,5a]	3:2:1:	3:2:	3:3:3:	C[5a,5a]-3:S[5a]-2:O-1:	C[5a]-3:S[5a]-2:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a](C[5a,5a]C[5a,5a]N[5a])(S[5a]S[5a])(O)	S[5a](C[5a]C[5a,5a]O)(S[5a]C[5a,5a])	C[5a,5a](C[5a,5a]C[5a,6]S[5a])(N[5a]C[5a,6]C)(C[5a]S[5a]O)	C[5a](C[5a,5a]C[5a,5a]N[5a])(S[5a]S[5a])(O){1|C<4>,2|C<3>}	S[5a](C[5a]C[5a,5a]O)(S[5a]C[5a,5a]){1|C<3>,1|N<3>}	C[5a,5a](C[5a,5a]C[5a,6]S[5a])(N[5a]C[5a,6]C)(C[5a]S[5a]O){1|C<3>,1|S<2>}	109.1440	0.023	2	109.1440	0.001	2	109.1440	0.001	2	109.1440	0.001	2	108.5546	2.026	16	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,5a]	3:2:1:	3:3:	3:2:3:	C[5a,5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a,5a]H)2	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(C[5a]S[5a]H)	C[5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a])(H){1|H<1>,2|C<3>}	S[5a](C[5a]C[5a,5a]H)2{1|C<3>,1|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(C[5a]S[5a]H){1|C<3>,1|H<1>,1|S<2>}	111.6340	0.000	1	111.6340	0.000	1	111.6340	0.000	1	111.6340	0.000	1	108.5546	2.026	16	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,5a]	3:2:1:	3:3:	3:3:2:	C[5a,5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a,5a]H)2	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]S[5a]H)(S[5a]B[5a])	C[5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a])(H){1|B<3>,1|H<1>,1|S<2>}	S[5a](C[5a]C[5a,5a]H)2{2|S<2>}	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]S[5a]H)(S[5a]B[5a]){1|B<3>,1|H<1>}	110.1230	0.608	2	110.1230	0.370	2	110.1230	0.370	2	110.1230	0.370	2	108.5546	2.026	16	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,5a]	3:2:1:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a](C[5a,5a]C[5a,5a]2)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a,5a]H)2	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a]S[5a])(C[5a]S[5a]H)	C[5a](C[5a,5a]C[5a,5a]2)(S[5a]C[5a])(H){1|H<1>,1|S<2>,2|C<3>}	S[5a](C[5a]C[5a,5a]H)2{1|C<3>,1|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a]S[5a])(C[5a]S[5a]H){1|Br<1>,1|C<3>,1|H<1>,1|S<2>}	110.3520	0.000	1	110.3520	0.000	1	110.3520	0.000	1	110.3520	0.000	1	108.5546	2.026	16	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,5a]	3:2:2:	3:2:	3:3:3:	C[5a,5a]-3:S[5a]-2:C-2:	C[5a]-3:N[5a]-2:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]N[5a])(CN)	S[5a](C[5a]C[5a,5a]C)(N[5a]C[5a,5a])	C[5a,5a](C[5a,5a]N[5a]2)(C[5a]N[5a]C)(C[5a]S[5a]C)	C[5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]N[5a])(CN){1|C<4>,1|N<2>,1|N<3>}	S[5a](C[5a]C[5a,5a]C)(N[5a]C[5a,5a]){1|C<3>,1|N<3>}	C[5a,5a](C[5a,5a]N[5a]2)(C[5a]N[5a]C)(C[5a]S[5a]C){1|C<4>}	107.5210	0.000	1	107.5210	0.000	1	107.5210	0.000	1	107.5210	0.000	1	108.5546	2.026	16	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,5a]	3:2:3:	3:2:	3:3:3:	C[5a,5a]-3:S[5a]-2:C-3:	C[5a]-3:N[5a]-2:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]N[5a])(CClN)	S[5a](C[5a]C[5a,5a]C)(N[5a]C[5a,5a])	C[5a,5a](C[5a,5a]N[5a]2)(C[5a]N[5a]C)(C[5a]S[5a]C)	C[5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]N[5a])(CClN){1|C<4>,1|N<2>,1|N<3>}	S[5a](C[5a]C[5a,5a]C)(N[5a]C[5a,5a]){1|C<3>,1|N<3>}	C[5a,5a](C[5a,5a]N[5a]2)(C[5a]N[5a]C)(C[5a]S[5a]C){1|C<4>}	107.9447	0.615	3	107.9447	0.378	3	107.9447	0.378	3	107.9447	0.378	3	108.5546	2.026	16	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,5a]	3:2:3:	3:3:	3:2:3:	C[5a,5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	N[5a,5a]-3:N[5a]-2:C[5a]-3:	C[5a](C[5a,5a]N[5a,5a]N[5a])(S[5a]C[5a])(CC[5a]H)	S[5a](C[5a]C[5a,5a]C)(C[5a]N[5a,5a]S)	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])(C[5a]S[5a]C)	C[5a](C[5a,5a]N[5a,5a]N[5a])(S[5a]C[5a])(CC[5a]H){1|S<1>,2|C<3>}	S[5a](C[5a]C[5a,5a]C)(C[5a]N[5a,5a]S){1|C<3>,1|N<2>}	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])(C[5a]S[5a]C){1|S<1>,2|C<3>}	107.6420	0.000	1	107.6420	0.000	1	107.6420	0.000	1	107.6420	0.000	1	108.5546	2.026	16	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,5a]	3:2:4:	3:3:	3:2:3:	C[5a,5a]-3:S[5a]-2:Si-4:	C[5a]-3:C[5a]-3:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a])(SiC3)	S[5a](C[5a]C[5a,5a]Si)2	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(C[5a]S[5a]Si)	C[5a](C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a])(SiC3){1|Si<4>,2|C<3>}	S[5a](C[5a]C[5a,5a]Si)2{1|C<3>,1|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(C[5a]S[5a]Si){1|Si<4>,1|C<3>,1|S<2>}	107.0065	0.821	2	107.0065	0.674	2	107.0065	0.674	2	107.0065	0.674	2	108.5546	2.026	16	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,5a]	3:2:4:	3:3:	3:3:3:	C[5a,5a]-3:S[5a]-2:Si-4:	C[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a](C[5a,5a]C[5a,5a]2)(S[5a]C[5a])(SiC3)	S[5a](C[5a]C[5a,5a]Si)2	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(C[5a]S[5a]Si)	C[5a](C[5a,5a]C[5a,5a]2)(S[5a]C[5a])(SiC3){1|Si<4>,1|C<3>,2|S<2>}	S[5a](C[5a]C[5a,5a]Si)2{1|C<3>,1|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(C[5a]S[5a]Si){1|Si<4>,2|C<3>}	108.0540	0.462	2	108.0540	0.214	2	108.0540	0.214	2	108.0540	0.214	2	108.5546	2.026	16	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,5a]	3:3:2:	3:2:	3:3:3:	C[5a,5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:N[5a]-2:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(S[5a]N[5a])	S[5a](C[5a]C[5a,5a]C[6a])(N[5a]C[5a,5a])	C[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[6a]S[5a])(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(S[5a]N[5a]){1|S<2>,3|C<3>,3|H<1>}	S[5a](C[5a]C[5a,5a]C[6a])(N[5a]C[5a,5a]){1|S<2>,3|C<3>}	C[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[6a]S[5a])(C[5a]C[5a]H){1|C<4>,2|C<3>}	107.2360	0.000	1	107.2360	0.000	1	107.2360	0.000	1	107.2360	0.000	1	108.5546	2.026	16	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6,6]	3:2:1:	3:3:	3:4:3:	C[5a,6,6]-3:S[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a,6,6]-3:C[3x6]-4:C[5a]-3:	C[5a](C[5a,6,6]C[5a,6,6]C[3x6])(S[5a]C[5a])(Br)	S[5a](C[5a]C[5a,6,6]C[5a])(C[5a]C[5a,6,6]Br)	C[5a,6,6](C[5a,6,6]C[3x6]C[5a])(C[3x6]C[6,6]2H)(C[5a]S[5a]Br)	C[5a](C[5a,6,6]C[5a,6,6]C[3x6])(S[5a]C[5a])(Br){1|C<3>,1|H<1>,3|C<4>}	S[5a](C[5a]C[5a,6,6]C[5a])(C[5a]C[5a,6,6]Br){1|C<3>,1|S<2>,2|C<4>}	C[5a,6,6](C[5a,6,6]C[3x6]C[5a])(C[3x6]C[6,6]2H)(C[5a]S[5a]Br){1|C<3>,2|C<4>,5|H<1>}	112.0885	0.103	2	112.0885	0.011	2	112.0885	0.011	2	112.0885	0.011	2	111.1013	1.313	4	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6,6]	3:3:2:	3:3:	3:3:4:	C[5a,6,6]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a,6,6]-3:C[5a]-3:C[3x6]-4:	C[5a](C[5a,6,6]C[5a,6,6]C[3x6])(C[5a]C[5a,6,6]S[5a])(S[5a]C[5a])	S[5a](C[5a]C[5a,6,6]C[5a])(C[5a]C[5a,6,6]Br)	C[5a,6,6](C[5a,6,6]C[3x6]C[5a])(C[5a]C[5a]S[5a])(C[3x6]C[6,6]2H)	C[5a](C[5a,6,6]C[5a,6,6]C[3x6])(C[5a]C[5a,6,6]S[5a])(S[5a]C[5a]){1|Br<1>,1|H<1>,2|C<3>,4|C<4>}	S[5a](C[5a]C[5a,6,6]C[5a])(C[5a]C[5a,6,6]Br){1|C<3>,1|S<2>,2|C<4>}	C[5a,6,6](C[5a,6,6]C[3x6]C[5a])(C[5a]C[5a]S[5a])(C[3x6]C[6,6]2H){1|Br<1>,1|C<3>,1|S<2>,2|C<4>,5|H<1>}	110.1140	0.177	2	110.1140	0.031	2	110.1140	0.031	2	110.1140	0.031	2	111.1013	1.313	4	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:2:1:	3:3:	3:3:2:	C[5a,6]-3:S[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(Br)	S[5a](C[5a]C[5a,6]Br)(C[5a]C[5a,6]C)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[6])	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(Br){1|C<3>,1|C<4>,1|O<2>}	S[5a](C[5a]C[5a,6]Br)(C[5a]C[5a,6]C){2|O<2>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	113.1580	0.000	1	113.0140	0.162	3	112.6860	0.241	22	111.6475	1.192	100	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:2:1:	3:3:	3:3:2:	C[5a,6]-3:S[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(Br)	S[5a](C[5a]C[5a,6]Br)(C[5a]C[5a,6]C)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[6])	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(Br){1|O<2>,2|C<4>}	S[5a](C[5a]C[5a,6]Br)(C[5a]C[5a,6]C){2|O<2>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[6]){2|C<4>,2|H<1>}	112.9420	0.542	2	113.0140	0.162	3	112.6860	0.241	22	111.6475	1.192	100	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:2:1:	3:3:	3:3:2:	C[5a,6]-3:S[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(Br)	S[5a](C[5a]C[5a,6]Br)(C[5a]C[5a,6]Si)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[6])	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(Br){1|Si<4>,1|C<4>,1|O<2>}	S[5a](C[5a]C[5a,6]Br)(C[5a]C[5a,6]Si){2|O<2>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[6]){1|Si<4>,1|C<4>,2|H<1>}	112.1315	0.228	2	112.1315	0.052	2	112.6860	0.241	22	111.6475	1.192	100	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:2:1:	3:3:	3:3:2:	C[5a,6]-3:S[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(Br)	S[5a](C[5a]C[5a,6]Br)2	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[5,6])	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(Br){1|Br<1>,1|C<4>,1|O<2>}	S[5a](C[5a]C[5a,6]Br)2{2|O<2>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[5,6]){1|Br<1>,1|H<1>,2|C<4>}	112.2318	0.232	4	112.2318	0.054	4	112.6860	0.241	22	111.6475	1.192	100	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:2:1:	3:3:	3:3:2:	C[5a,6]-3:S[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(Br)	S[5a](C[5a]C[5a,6]Br)2	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[6])	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(Br){1|Br<1>,1|C<4>,1|O<2>}	S[5a](C[5a]C[5a,6]Br)2{2|O<2>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[6]){1|Br<1>,1|C<4>,2|H<1>}	112.9770	0.514	8	112.9212	0.238	10	112.6860	0.241	22	111.6475	1.192	100	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:2:1:	3:3:	3:3:2:	C[5a,6]-3:S[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(Br)	S[5a](C[5a]C[5a,6]Br)2	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[6])	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(Br){1|Br<1>,1|C<4>,1|O<2>}	S[5a](C[5a]C[5a,6]Br)2{2|O<2>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[6]){1|Br<1>,1|H<1>,2|C<4>}	112.6980	0.409	2	112.9212	0.238	10	112.6860	0.241	22	111.6475	1.192	100	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:2:1:	3:3:	3:3:2:	C[5a,6]-3:S[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(Br)	S[5a](C[5a]C[5a,6]C[5a])(C[5a]C[5a,6]Br)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[6])	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(Br){1|C<3>,1|C<4>,1|O<2>}	S[5a](C[5a]C[5a,6]C[5a])(C[5a]C[5a,6]Br){1|C<3>,1|S<2>,2|O<2>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	112.6010	0.000	1	112.6010	0.000	1	112.6860	0.241	22	111.6475	1.192	100	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:2:1:	3:3:	3:3:2:	C[5a,6]-3:S[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(Br)	S[5a](C[5a]C[5a,6]C[6a])(C[5a]C[5a,6]Br)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[6])	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(Br){1|C<3>,1|C<4>,1|O<2>}	S[5a](C[5a]C[5a,6]C[6a])(C[5a]C[5a,6]Br){2|C<3>,2|O<2>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Br)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	112.5235	0.021	2	112.5235	0.000	2	112.6860	0.241	22	111.6475	1.192	100	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:2:1:	3:3:	3:3:2:	C[5a,6]-3:S[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:S[6]-2:	C[5a](C[5a,6]C[5a,6]S[6])(S[5a]C[5a])(Br)	S[5a](C[5a]C[5a,6]Br)2	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]S[5a]Br)(S[6]C[6])	C[5a](C[5a,6]C[5a,6]S[6])(S[5a]C[5a])(Br){1|Br<1>,1|C<3>,1|S<2>}	S[5a](C[5a]C[5a,6]Br)2{2|S<2>}	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]S[5a]Br)(S[6]C[6]){1|Br<1>,1|C<3>,1|C<4>}	113.4410	0.000	1	114.0170	0.666	4	114.0170	0.666	4	111.6475	1.192	100	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:2:1:	3:3:	3:3:2:	C[5a,6]-3:S[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:S[6]-2:	C[5a](C[5a,6]C[5a,6]S[6])(S[5a]C[5a])(Br)	S[5a](C[5a]C[5a,6]Br)2	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]S[5a]Br)(S[6]C[6])	C[5a](C[5a,6]C[5a,6]S[6])(S[5a]C[5a])(Br){1|Br<1>,1|C<3>,1|S<2>}	S[5a](C[5a]C[5a,6]Br)2{2|S<2>}	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]S[5a]Br)(S[6]C[6]){1|Br<1>,1|C<3>,1|H<1>}	115.1660	0.000	1	114.0170	0.666	4	114.0170	0.666	4	111.6475	1.192	100	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:2:1:	3:3:	3:3:2:	C[5a,6]-3:S[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:S[6]-2:	C[5a](C[5a,6]C[5a,6]S[6])(S[5a]C[5a])(Br)	S[5a](C[5a]C[5a,6]Br)2	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]S[5a]Br)(S[6]C[6])	C[5a](C[5a,6]C[5a,6]S[6])(S[5a]C[5a])(Br){1|Br<1>,1|C<4>,1|S<2>}	S[5a](C[5a]C[5a,6]Br)2{2|S<2>}	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]S[5a]Br)(S[6]C[6]){1|Br<1>,1|C<4>,2|H<1>}	113.7305	0.426	2	114.0170	0.666	4	114.0170	0.666	4	111.6475	1.192	100	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:2:1:	3:3:	3:3:2:	C[5a,6]-3:S[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(Cl)	S[5a](C[5a]C[5a,6]Cl)2	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Cl)(O[6]C[6])	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(Cl){1|Cl<1>,1|C<4>,1|O<2>}	S[5a](C[5a]C[5a,6]Cl)2{2|O<2>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Cl)(O[6]C[6]){1|Cl<1>,1|C<4>,2|H<1>}	112.4520	0.089	2	112.4520	0.008	2	112.4520	0.008	2	111.6475	1.192	100	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:2:1:	3:3:	3:3:2:	C[5a,6]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a,6]B[5])(C[5a]C[5a,6]H)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6])	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(H){1|B<3>,1|C<4>,1|O<2>}	S[5a](C[5a]C[5a,6]B[5])(C[5a]C[5a,6]H){4|O<2>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6]){1|B<3>,1|C<4>,2|H<1>}	110.6410	0.000	1	110.6410	0.000	1	110.9032	0.367	48	111.6475	1.192	100	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:2:1:	3:3:	3:3:2:	C[5a,6]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a,6]C)(C[5a]C[5a,6]H)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6,6a])	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(H){1|O<2>,2|C<3>}	S[5a](C[5a]C[5a,6]C)(C[5a]C[5a,6]H){2|O<2>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6,6a]){3|C<3>}	110.6720	0.000	1	110.6720	0.000	1	110.9032	0.367	48	111.6475	1.192	100	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:2:1:	3:3:	3:3:2:	C[5a,6]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a,6]C)(C[5a]C[5a,6]H)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6])	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(H){1|C<3>,1|C<4>,1|O<2>}	S[5a](C[5a]C[5a,6]C)(C[5a]C[5a,6]H){2|O<2>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	111.6422	0.643	5	111.5312	0.404	6	110.9032	0.367	48	111.6475	1.192	100	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:2:1:	3:3:	3:3:2:	C[5a,6]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a,6]C)(C[5a]C[5a,6]H)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6])	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(H){1|O<2>,2|C<4>}	S[5a](C[5a]C[5a,6]C)(C[5a]C[5a,6]H){2|O<2>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6]){2|C<4>,2|H<1>}	110.9760	0.000	1	111.5312	0.404	6	110.9032	0.367	48	111.6475	1.192	100	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:2:1:	3:3:	3:3:2:	C[5a,6]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a,6]C[5])(C[5a]C[5a,6]H)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6])	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(H){1|C<3>,1|C<4>,1|O<2>}	S[5a](C[5a]C[5a,6]C[5])(C[5a]C[5a,6]H){1|C<3>,1|P<3>,2|O<2>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	111.1485	0.511	2	111.1485	0.261	2	110.9032	0.367	48	111.6475	1.192	100	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:2:1:	3:3:	3:3:2:	C[5a,6]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a,6]C[5a])(C[5a]C[5a,6]H)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6])	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(H){1|C<3>,1|C<4>,1|O<2>}	S[5a](C[5a]C[5a,6]C[5a])(C[5a]C[5a,6]H){1|C<3>,1|S<2>,2|O<2>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	111.3474	0.207	5	111.3474	0.043	5	110.9032	0.367	48	111.6475	1.192	100	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:2:1:	3:3:	3:3:2:	C[5a,6]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a,6]C[6])(C[5a]C[5a,6]H)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6])	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(H){1|C<3>,1|C<4>,1|O<2>}	S[5a](C[5a]C[5a,6]C[6])(C[5a]C[5a,6]H){2|C<3>,2|O<2>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	111.0730	0.000	1	111.0730	0.000	1	110.9032	0.367	48	111.6475	1.192	100	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:2:1:	3:3:	3:3:2:	C[5a,6]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6])	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(H){1|C<3>,1|C<4>,1|O<2>}	S[5a](C[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H){1|C<3>,1|N<2>,2|O<2>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	111.1855	0.320	4	111.2041	0.143	14	110.9032	0.367	48	111.6475	1.192	100	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:2:1:	3:3:	3:3:2:	C[5a,6]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6])	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(H){1|C<3>,1|C<4>,1|O<2>}	S[5a](C[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H){2|C<3>,2|O<2>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	111.2115	0.414	10	111.2041	0.143	14	110.9032	0.367	48	111.6475	1.192	100	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:2:1:	3:3:	3:3:2:	C[5a,6]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a,6]H)2	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6,6a])	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(H){1|C<3>,1|H<1>,1|O<2>}	S[5a](C[5a]C[5a,6]H)2{2|O<2>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6,6a]){1|C<3>,1|H<1>,1|N<2>}	110.1693	0.217	8	110.1968	0.042	13	110.9032	0.367	48	111.6475	1.192	100	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:2:1:	3:3:	3:3:2:	C[5a,6]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a,6]H)2	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6,6a])	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(H){1|C<3>,1|H<1>,1|O<2>}	S[5a](C[5a]C[5a,6]H)2{2|O<2>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6,6a]){1|H<1>,2|C<3>}	110.2410	0.197	5	110.1968	0.042	13	110.9032	0.367	48	111.6475	1.192	100	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:2:1:	3:3:	3:3:2:	C[5a,6]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a,6]H)2	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6])	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(H){1|C<4>,1|H<1>,1|O<2>}	S[5a](C[5a]C[5a,6]H)2{2|O<2>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6]){1|C<4>,3|H<1>}	110.6925	0.204	2	110.7050	0.249	4	110.9032	0.367	48	111.6475	1.192	100	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:2:1:	3:3:	3:3:2:	C[5a,6]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a,6]H)2	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6])	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(H){1|C<4>,1|H<1>,1|O<2>}	S[5a](C[5a]C[5a,6]H)2{2|O<2>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6]){2|C<4>,2|H<1>}	110.7175	0.839	2	110.7050	0.249	4	110.9032	0.367	48	111.6475	1.192	100	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:2:1:	3:3:	3:3:2:	C[5a,6]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a,6]Si)(C[5a]C[5a,6]H)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6])	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(H){1|Si<4>,1|C<4>,1|O<2>}	S[5a](C[5a]C[5a,6]Si)(C[5a]C[5a,6]H){2|O<2>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]H)(O[6]C[6]){1|Si<4>,1|C<4>,2|H<1>}	110.5100	0.000	1	110.5100	0.000	1	110.9032	0.367	48	111.6475	1.192	100	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:2:1:	3:3:	3:3:2:	C[5a,6]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:S[6]-2:	C[5a](C[5a,6]C[5a,6]S[6])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a,6]C[5a])(C[5a]C[5a,6]H)	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]S[5a]H)(S[6]C[6])	C[5a](C[5a,6]C[5a,6]S[6])(S[5a]C[5a])(H){1|C<3>,1|C<4>,1|S<2>}	S[5a](C[5a]C[5a,6]C[5a])(C[5a]C[5a,6]H){1|C<3>,3|S<2>}	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]S[5a]H)(S[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	112.8265	1.498	2	112.9243	0.779	4	112.2780	0.889	10	111.6475	1.192	100	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:2:1:	3:3:	3:3:2:	C[5a,6]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:S[6]-2:	C[5a](C[5a,6]C[5a,6]S[6])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a,6]C[5a])(C[5a]C[5a,6]H)	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]S[5a]H)(S[6]C[6])	C[5a](C[5a,6]C[5a,6]S[6])(S[5a]C[5a])(H){1|C<3>,1|C<4>,1|S<2>}	S[5a](C[5a]C[5a,6]C[5a])(C[5a]C[5a,6]H){1|N<2>,3|S<2>}	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]S[5a]H)(S[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	113.0220	0.235	2	112.9243	0.779	4	112.2780	0.889	10	111.6475	1.192	100	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:2:1:	3:3:	3:3:2:	C[5a,6]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:S[6]-2:	C[5a](C[5a,6]C[5a,6]S[6])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a,6]H)2	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]S[5a]H)(S[6]C[6,6a])	C[5a](C[5a,6]C[5a,6]S[6])(S[5a]C[5a])(H){1|C<3>,1|H<1>,1|S<2>}	S[5a](C[5a]C[5a,6]H)2{2|S<2>}	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]S[5a]H)(S[6]C[6,6a]){1|C<3>,1|H<1>,1|N<2>}	111.8472	0.759	6	111.8472	0.576	6	112.2780	0.889	10	111.6475	1.192	100	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:2:1:	3:3:	3:3:2:	C[5a,6]-3:S[5a]-2:I-1:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(I)	S[5a](C[5a]C[5a,6]C)(C[5a]C[5a,6]I)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]I)(O[6]C[6])	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(I){1|O<2>,2|C<4>}	S[5a](C[5a]C[5a,6]C)(C[5a]C[5a,6]I){2|O<2>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]I)(O[6]C[6]){2|C<4>,2|H<1>}	111.3403	0.351	6	111.3403	0.123	6	111.3249	0.480	14	111.6475	1.192	100	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:2:1:	3:3:	3:3:2:	C[5a,6]-3:S[5a]-2:I-1:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(I)	S[5a](C[5a]C[5a,6]I)(C[5a]C[5a,6]P)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]I)(O[6]C[6])	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(I){1|C<4>,1|O<2>,1|P<3>}	S[5a](C[5a]C[5a,6]I)(C[5a]C[5a,6]P){2|O<2>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]I)(O[6]C[6]){1|C<4>,1|P<3>,2|H<1>}	111.6215	0.337	2	111.6215	0.114	2	111.3249	0.480	14	111.6475	1.192	100	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:2:1:	3:3:	3:3:2:	C[5a,6]-3:S[5a]-2:I-1:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(I)	S[5a](C[5a]C[5a,6]I)2	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]I)(O[6]C[6])	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(I){1|C<4>,1|I<1>,1|O<2>}	S[5a](C[5a]C[5a,6]I)2{2|O<2>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]I)(O[6]C[6]){1|C<4>,1|I<1>,2|H<1>}	112.1465	0.467	2	112.1465	0.218	2	111.3249	0.480	14	111.6475	1.192	100	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:2:1:	3:3:	3:3:2:	C[5a,6]-3:S[5a]-2:I-1:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(I)	S[5a](C[5a]C[5a,6]Si)(C[5a]C[5a,6]I)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]I)(O[6]C[6])	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(I){1|Si<4>,1|C<4>,1|O<2>}	S[5a](C[5a]C[5a,6]Si)(C[5a]C[5a,6]I){2|O<2>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]I)(O[6]C[6]){1|Si<4>,1|C<4>,2|H<1>}	110.7425	0.895	4	110.7425	0.801	4	111.3249	0.480	14	111.6475	1.192	100	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:2:1:	3:3:	3:3:4:	C[5a,6]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](C[5a,6]C[5a,6]C[6])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a,6]H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]S[5a]H)(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]C[6])(S[5a]C[5a])(H){2|C<4>,3|H<1>}	S[5a](C[5a]C[5a,6]H)2{2|C<4>}	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]S[5a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,4|H<1>}	112.6910	0.000	1	112.6910	0.000	1	112.3990	0.171	2	112.3990	0.171	2	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:2:1:	3:3:	3:3:4:	C[5a,6]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](C[5a,6]C[5a,6]C[6])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a,6]H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]S[5a]H)(C[6]C[6]HO)	C[5a](C[5a,6]C[5a,6]C[6])(S[5a]C[5a])(H){1|O<2>,2|C<4>,2|H<1>}	S[5a](C[5a]C[5a,6]H)2{2|C<4>}	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]S[5a]H)(C[6]C[6]HO){1|C<4>,1|O<2>,4|H<1>}	112.1070	0.000	1	112.1070	0.000	1	112.3990	0.171	2	112.3990	0.171	2	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:2:1:	3:3:	3:4:3:	C[5a,6]-3:S[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6,6]-3:C[6]-4:C[5a]-3:	C[5a](C[5a,6]C[5a,6,6]C[6])(S[5a]C[5a,6])(H)	S[5a](C[5a,6]C[5a,6,6]C[6])(C[5a]C[5a,6]H)	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]N[5a,6]C[6a]H)(C[5a]S[5a]H)	C[5a](C[5a,6]C[5a,6,6]C[6])(S[5a]C[5a,6])(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	S[5a](C[5a,6]C[5a,6,6]C[6])(C[5a]C[5a,6]H){2|H<1>,3|C<4>}	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]N[5a,6]C[6a]H)(C[5a]S[5a]H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	111.5660	0.000	1	111.5660	0.000	1	111.5660	0.000	1	111.5660	0.000	1	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:2:2:	3:3:	3:3:2:	C[5a,6]-3:S[5a]-2:C-2:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(CC)	S[5a](C[5a]C[5a,6]C)2	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6])	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(CC){1|C<2>,1|C<4>,1|O<2>}	S[5a](C[5a]C[5a,6]C)2{2|O<2>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6]){1|C<2>,1|C<4>,2|H<1>}	110.2655	0.645	6	110.2655	0.416	6	110.2655	0.416	6	110.3119	0.362	7	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:2:2:	3:3:	3:3:2:	C[5a,6]-3:S[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(SC)	S[5a](C[5a]C[5a,6]C[5a])(C[5a]C[5a,6]S)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]S)(O[6]C[6])	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(SC){1|C<3>,1|C<4>,1|O<2>}	S[5a](C[5a]C[5a,6]C[5a])(C[5a]C[5a,6]S){1|C<3>,1|S<2>,2|O<2>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]S)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	110.5900	0.000	1	110.5900	0.000	1	110.5900	0.000	1	110.3119	0.362	7	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:2:3:	3:3:	3:3:2:	C[5a,6]-3:S[5a]-2:B[5]-3:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(B[5]O[5]2)	S[5a](C[5a]C[5a,6]B[5])(C[5a]C[5a,6]H)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]B[5])(O[6]C[6])	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(B[5]O[5]2){1|H<1>,1|O<2>,3|C<4>}	S[5a](C[5a]C[5a,6]B[5])(C[5a]C[5a,6]H){4|O<2>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]B[5])(O[6]C[6]){1|C<4>,2|O<2>,3|H<1>}	108.9020	0.000	1	108.9020	0.000	1	108.9020	0.000	1	109.8910	0.334	10	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:2:3:	3:3:	3:3:2:	C[5a,6]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(CCC)	S[5a](C[5a]C[5a,6]Br)(C[5a]C[5a,6]C)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6])	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(CCC){1|Br<1>,1|C<4>,1|O<2>}	S[5a](C[5a]C[5a,6]Br)(C[5a]C[5a,6]C){2|O<2>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6]){1|Br<1>,1|C<4>,2|H<1>}	109.7610	0.000	1	109.7610	0.000	1	110.0100	0.273	8	109.8910	0.334	10	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:2:3:	3:3:	3:3:2:	C[5a,6]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(CCC)	S[5a](C[5a]C[5a,6]C)(C[5a]C[5a,6]H)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6])	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(CCC){1|C<4>,1|H<1>,1|O<2>}	S[5a](C[5a]C[5a,6]C)(C[5a]C[5a,6]H){2|O<2>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6]){1|C<4>,3|H<1>}	109.6615	0.080	2	109.6615	0.006	2	110.0100	0.273	8	109.8910	0.334	10	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:2:3:	3:3:	3:3:2:	C[5a,6]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(CCH)	S[5a](C[5a]C[5a,6]C)(C[5a]C[5a,6]H)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6])	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(CCH){1|C<4>,1|H<1>,1|O<2>}	S[5a](C[5a]C[5a,6]C)(C[5a]C[5a,6]H){2|O<2>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6]){1|C<4>,3|H<1>}	109.5230	0.000	1	109.5230	0.000	1	110.0100	0.273	8	109.8910	0.334	10	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:2:3:	3:3:	3:3:2:	C[5a,6]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(CCS)	S[5a](C[5a]C[5a,6]C)2	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6])	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(CCS){1|C<3>,1|C<4>,1|O<2>}	S[5a](C[5a]C[5a,6]C)2{2|O<2>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	109.7730	0.000	1	109.7730	0.000	1	110.0100	0.273	8	109.8910	0.334	10	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:2:3:	3:3:	3:3:2:	C[5a,6]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(CHN)	S[5a](C[5a]C[5a,6]C)(C[5a]C[5a,6]H)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6])	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(CHN){1|C<4>,1|H<1>,1|O<2>}	S[5a](C[5a]C[5a,6]C)(C[5a]C[5a,6]H){2|O<2>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6]){1|C<4>,3|H<1>}	110.3660	0.000	1	110.3660	0.000	1	110.0100	0.273	8	109.8910	0.334	10	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:2:3:	3:3:	3:3:2:	C[5a,6]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(CHO)	S[5a](C[5a]C[5a,6]C)(C[5a]C[5a,6]H)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6])	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(CHO){1|C<4>,1|H<1>,1|O<2>}	S[5a](C[5a]C[5a,6]C)(C[5a]C[5a,6]H){2|O<2>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6]){1|C<4>,3|H<1>}	111.0660	0.000	1	111.0660	0.000	1	110.0100	0.273	8	109.8910	0.334	10	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:2:3:	3:3:	3:3:2:	C[5a,6]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(COO)	S[5a](C[5a]C[5a,6]C)(C[5a]C[5a,6]H)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6,6a])	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(COO){1|C<3>,1|H<1>,1|O<2>}	S[5a](C[5a]C[5a,6]C)(C[5a]C[5a,6]H){2|O<2>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6,6a]){1|H<1>,2|C<3>}	110.2680	0.000	1	110.2680	0.000	1	110.0100	0.273	8	109.8910	0.334	10	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:2:3:	3:3:	3:3:2:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(C[6]C[6]2)	S[5a](C[5a]C[5a,6]C[6])(C[5a]C[5a,6]H)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C[6])(O[6]C[6])	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(C[6]C[6]2){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	S[5a](C[5a]C[5a,6]C[6])(C[5a]C[5a,6]H){2|C<3>,2|O<2>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C[6])(O[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	109.9280	0.000	1	109.9280	0.000	1	109.9280	0.000	1	109.8910	0.334	10	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:2:3:	3:3:	3:3:4:	C[5a,6]-3:S[5a]-2:B[5]-3:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](C[5a,6]C[5a,6]C[6])(S[5a]C[5a])(B[5]O[5]2)	S[5a](C[5a]C[5a,6]B[5])2	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]S[5a]B[5])(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]C[6])(S[5a]C[5a])(B[5]O[5]2){1|B<3>,2|H<1>,4|C<4>}	S[5a](C[5a]C[5a,6]B[5])2{2|C<4>,4|O<2>}	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]S[5a]B[5])(C[6]C[6]HH){1|B<3>,1|C<4>,2|O<2>,4|H<1>}	110.1540	0.192	2	110.1540	0.037	2	110.1540	0.037	2	110.1540	0.037	2	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:2:4:	3:3:	3:3:2:	C[5a,6]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(CC[5a]CH)	S[5a](C[5a]C[5a,6]C)(C[5a]C[5a,6]I)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6])	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(CC[5a]CH){1|C<4>,1|I<1>,1|O<2>}	S[5a](C[5a]C[5a,6]C)(C[5a]C[5a,6]I){2|O<2>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6]){1|C<4>,1|I<1>,2|H<1>}	109.7035	0.504	2	109.7035	0.254	2	109.8500	0.147	7	109.5673	0.792	16	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:2:4:	3:3:	3:3:2:	C[5a,6]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(CC[5a]HH)	S[5a](C[5a]C[5a,6]Br)(C[5a]C[5a,6]C)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6])	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(CC[5a]HH){1|Br<1>,1|C<4>,1|O<2>}	S[5a](C[5a]C[5a,6]Br)(C[5a]C[5a,6]C){2|O<2>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6]){1|Br<1>,1|C<4>,2|H<1>}	109.9940	0.707	2	109.9940	0.500	2	109.8500	0.147	7	109.5673	0.792	16	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:2:4:	3:3:	3:3:2:	C[5a,6]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(CHHN)	S[5a](C[5a]C[5a,6]C)(C[5a]C[5a,6]I)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6])	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(CHHN){1|C<4>,1|I<1>,1|O<2>}	S[5a](C[5a]C[5a,6]C)(C[5a]C[5a,6]I){2|O<2>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6]){1|C<4>,1|I<1>,2|H<1>}	109.7770	0.085	2	109.7770	0.007	2	109.8500	0.147	7	109.5673	0.792	16	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:2:4:	3:3:	3:3:2:	C[5a,6]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(CHHO)	S[5a](C[5a]C[5a,6]C)(C[5a]C[5a,6]H)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6])	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(CHHO){1|C<4>,1|H<1>,1|O<2>}	S[5a](C[5a]C[5a,6]C)(C[5a]C[5a,6]H){2|O<2>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6]){1|C<4>,3|H<1>}	110.0010	0.000	1	110.0010	0.000	1	109.8500	0.147	7	109.5673	0.792	16	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:2:4:	3:3:	3:3:2:	C[5a,6]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:S[6]-2:	C[5a](C[5a,6]C[5a,6]S[6])(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a,6]C)2	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]S[5a]C)(S[6]C[5,6])	C[5a](C[5a,6]C[5a,6]S[6])(S[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|S<2>}	S[5a](C[5a]C[5a,6]C)2{2|S<2>}	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]S[5a]C)(S[6]C[5,6]){1|C<3>,1|C<4>,1|S<2>}	109.4965	0.501	2	109.4965	0.251	2	109.4965	0.251	2	109.5673	0.792	16	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:2:4:	3:3:	3:3:2:	C[5a,6]-3:S[5a]-2:Si-4:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(SiC3)	S[5a](C[5a]C[5a,6]Si)(C[5a]C[5a,6]I)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Si)(O[6]C[6])	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(SiC3){1|C<4>,1|I<1>,1|O<2>}	S[5a](C[5a]C[5a,6]Si)(C[5a]C[5a,6]I){2|O<2>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Si)(O[6]C[6]){1|C<4>,1|I<1>,2|H<1>}	108.6195	0.156	2	108.6195	0.024	2	109.3049	1.617	7	109.5673	0.792	16	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:2:4:	3:3:	3:3:2:	C[5a,6]-3:S[5a]-2:Si-4:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(SiC[5a]3)	S[5a](C[5a]C[5a,6]Si)(C[5a]C[5a,6]H)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Si)(O[6]C[6])	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(SiC[5a]3){1|C<4>,1|H<1>,1|O<2>}	S[5a](C[5a]C[5a,6]Si)(C[5a]C[5a,6]H){2|O<2>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Si)(O[6]C[6]){1|C<4>,3|H<1>}	108.8150	0.000	1	108.8150	0.000	1	109.3049	1.617	7	109.5673	0.792	16	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:2:4:	3:3:	3:3:2:	C[5a,6]-3:S[5a]-2:Si-4:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(SiC[5a]CC)	S[5a](C[5a]C[5a,6]Br)(C[5a]C[5a,6]Si)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Si)(O[6]C[6])	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(SiC[5a]CC){1|Br<1>,1|C<4>,1|O<2>}	S[5a](C[5a]C[5a,6]Br)(C[5a]C[5a,6]Si){2|O<2>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Si)(O[6]C[6]){1|Br<1>,1|C<4>,2|H<1>}	108.8700	0.441	2	108.8700	0.195	2	109.3049	1.617	7	109.5673	0.792	16	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:2:4:	3:3:	3:3:2:	C[5a,6]-3:S[5a]-2:Si-4:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(SiC[5a]CC)	S[5a](C[5a]C[5a,6]Si)(C[5a]C[5a,6]I)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Si)(O[6]C[6])	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(SiC[5a]CC){1|C<4>,1|I<1>,1|O<2>}	S[5a](C[5a]C[5a,6]Si)(C[5a]C[5a,6]I){2|O<2>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Si)(O[6]C[6]){1|C<4>,1|I<1>,2|H<1>}	110.6700	2.049	2	110.6700	4.199	2	109.3049	1.617	7	109.5673	0.792	16	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:2:4:	3:3:	3:3:3:	C[5a,6]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5,6]-3:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[5,6])(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a,6]C)2	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){1|C<3>,3|C<4>}	S[5a](C[5a]C[5a,6]C)2{1|C<3>,1|C<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){1|S<4>,2|F<1>,5|C<4>}	110.0340	0.000	1	110.0340	0.000	1	110.0340	0.000	1	110.0340	0.000	1	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:2:4:	3:3:	3:4:3:	C[5a,6]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5,6]-4:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[5,6])(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a,6]C)2	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[5a](C[5a,6]C[5a,6]C[5,6])(S[5a]C[5a])(CH3){1|C<3>,1|S<4>,3|C<4>}	S[5a](C[5a]C[5a,6]C)2{1|C<3>,1|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>}	110.0000	0.000	1	110.0000	0.000	1	110.0000	0.000	1	110.0000	0.000	1	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:3:2:	3:2:	3:3:3:	C[5a,6]-3:C[6a]-3:S[5a]-2:	C[5a]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(S[5a]N[5a])	S[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6])	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[6a]S[5a])(C[6]O[6]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(S[5a]N[5a]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]){1|C<4>,3|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[6a]S[5a])(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>}	107.1580	0.000	1	107.1580	0.000	1	107.1580	0.000	1	107.1580	0.000	1	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[5]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(C[5]C[5,6]P[5])(S[5a]C[5a])	S[5a](C[5a]C[5a,6]C[5])(C[5a]C[5a,6]H)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C[5])(O[6]C[6])	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>}	S[5a](C[5a]C[5a,6]C[5])(C[5a]C[5a,6]H){1|C<3>,1|P<3>,2|O<2>}	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>}	108.7510	0.580	2	108.7510	0.336	2	108.7510	0.336	2	109.9266	0.825	47	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[5a,6]S[5a])(S[5a]C[5a])	S[5a](C[5a]C[5a,6]C[5a])(C[5a]C[5a,6]Br)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[5a]S[5a])(O[6]C[6])	C[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[5a,6]S[5a])(S[5a]C[5a]){1|Br<1>,1|C<4>,2|C<3>,2|O<2>}	S[5a](C[5a]C[5a,6]C[5a])(C[5a]C[5a,6]Br){1|C<3>,1|S<2>,2|O<2>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[5a]S[5a])(O[6]C[6]){1|Br<1>,1|C<3>,1|C<4>,1|S<2>,2|H<1>}	109.9540	0.000	1	109.9540	0.000	1	109.3423	0.311	9	109.9266	0.825	47	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[5a,6]S[5a])(S[5a]C[5a])	S[5a](C[5a]C[5a,6]C[5a])(C[5a]C[5a,6]H)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[5a]S[5a])(O[6]C[6])	C[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[5a,6]S[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,1|O<2>,1|S<2>,2|C<3>}	S[5a](C[5a]C[5a,6]C[5a])(C[5a]C[5a,6]H){1|C<3>,1|S<2>,2|O<2>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[5a]S[5a])(O[6]C[6]){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	109.5005	0.402	2	109.5005	0.162	2	109.3423	0.311	9	109.9266	0.825	47	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[5a,6]S[5a])(S[5a]C[5a])	S[5a](C[5a]C[5a,6]C[5a])(C[5a]C[5a,6]S)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[5a]S[5a])(O[6]C[6])	C[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[5a,6]S[5a])(S[5a]C[5a]){1|C<4>,1|S<2>,2|C<3>,2|O<2>}	S[5a](C[5a]C[5a,6]C[5a])(C[5a]C[5a,6]S){1|C<3>,1|S<2>,2|O<2>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[5a]S[5a])(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>,2|S<2>}	109.3330	0.000	1	109.3330	0.000	1	109.3423	0.311	9	109.9266	0.825	47	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[5a,6]S[5a])(S[5a]C[5a])	S[5a](C[5a]C[5a,6]C[5a])2	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[5a]S[5a])(O[6]C[6])	C[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[5a,6]S[5a])(S[5a]C[5a]){1|C<4>,1|O<2>,1|S<2>,3|C<3>}	S[5a](C[5a]C[5a,6]C[5a])2{2|C<3>,2|O<2>,2|S<2>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[5a]S[5a])(O[6]C[6]){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	109.2620	1.177	2	109.2620	1.384	2	109.3423	0.311	9	109.9266	0.825	47	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a]C[5a,6]C[5a])(C[5a]C[5a,6]H)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[5a]S[5a])(O[6]C[6])	C[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[5a]S[5a])(S[5a]C[5a]){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	S[5a](C[5a]C[5a,6]C[5a])(C[5a]C[5a,6]H){1|C<3>,1|S<2>,2|O<2>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[5a]S[5a])(O[6]C[6]){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	108.8310	0.000	1	109.0897	0.155	3	109.3423	0.311	9	109.9266	0.825	47	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a]C[5a,6]C[5a])(C[5a]C[5a,6]H)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[5a]S[5a])(O[6]C[6])	C[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[5a]S[5a])(S[5a]C[5a]){1|C<2>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	S[5a](C[5a]C[5a,6]C[5a])(C[5a]C[5a,6]H){1|C<3>,1|S<2>,2|O<2>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[5a]S[5a])(O[6]C[6]){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	109.5420	0.000	1	109.0897	0.155	3	109.3423	0.311	9	109.9266	0.825	47	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a]C[5a,6]C[5a])(C[5a]C[5a,6]H)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[5a]S[5a])(O[6]C[6])	C[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[5a]S[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,1|O<2>,1|S<2>,2|C<3>}	S[5a](C[5a]C[5a,6]C[5a])(C[5a]C[5a,6]H){1|C<3>,1|S<2>,2|O<2>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[5a]S[5a])(O[6]C[6]){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	108.8960	0.000	1	109.0897	0.155	3	109.3423	0.311	9	109.9266	0.825	47	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:S[6]-2:	C[5a](C[5a,6]C[5a,6]S[6])(C[5a]C[5a,6]S[5a])(S[5a]C[5a])	S[5a](C[5a]C[5a,6]C[5a])(C[5a]C[5a,6]H)	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]C[5a]S[5a])(S[6]C[6])	C[5a](C[5a,6]C[5a,6]S[6])(C[5a]C[5a,6]S[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,1|O<2>,1|S<2>,2|C<3>}	S[5a](C[5a]C[5a,6]C[5a])(C[5a]C[5a,6]H){1|C<3>,3|S<2>}	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]C[5a]S[5a])(S[6]C[6]){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	111.2760	0.642	2	111.2760	0.412	2	111.2687	0.203	6	109.9266	0.825	47	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:S[6]-2:	C[5a](C[5a,6]C[5a,6]S[6])(C[5a]C[5a,6]S[5a])(S[5a]C[5a])	S[5a](C[5a]C[5a,6]C[5a])2	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]C[5a]S[5a])(S[6]C[6])	C[5a](C[5a,6]C[5a,6]S[6])(C[5a]C[5a,6]S[5a])(S[5a]C[5a]){1|C<4>,1|O<2>,1|S<2>,3|C<3>}	S[5a](C[5a]C[5a,6]C[5a])2{2|C<3>,4|S<2>}	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]C[5a]S[5a])(S[6]C[6]){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	110.8860	0.170	2	110.8860	0.029	2	111.2687	0.203	6	109.9266	0.825	47	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:S[6]-2:	C[5a](C[5a,6]C[5a,6]S[6])(C[5a]N[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a]C[5a,6]C[5a])(C[5a]C[5a,6]H)	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]C[5a]S[5a])(S[6]C[6])	C[5a](C[5a,6]C[5a,6]S[6])(C[5a]N[5a]S[5a])(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<2>}	S[5a](C[5a]C[5a,6]C[5a])(C[5a]C[5a,6]H){1|N<2>,3|S<2>}	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]C[5a]S[5a])(S[6]C[6]){1|C<4>,1|N<2>,1|S<2>,3|H<1>}	111.6440	0.010	2	111.6440	0.000	2	111.2687	0.203	6	109.9266	0.825	47	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[5a,6a]C[6a])(S[5a]C[5a])	S[5a](C[5a]C[5a,6]C[6a])(C[5a]C[5a,6]Br)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[6a]S[5a])(O[6]C[6])	C[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[5a,6a]C[6a])(S[5a]C[5a]){1|Br<1>,1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	S[5a](C[5a]C[5a,6]C[6a])(C[5a]C[5a,6]Br){2|C<3>,2|O<2>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[6a]S[5a])(O[6]C[6]){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	109.6580	0.328	2	109.6580	0.108	2	109.9674	0.598	28	109.9266	0.825	47	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[5a,6a]C[6a])(S[5a]C[5a])	S[5a](C[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[6a]S[5a])(O[6]C[6])	C[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[5a,6a]C[6a])(S[5a]C[5a]){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H){2|C<3>,2|O<2>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[6a]S[5a])(O[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	109.1162	0.121	5	109.1162	0.015	5	109.9674	0.598	28	109.9266	0.825	47	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a,6a]C[6a])(S[5a]C[5a])	S[5a](C[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[6a]S[5a])(O[6]C[6])	C[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a,6a]C[6a])(S[5a]C[5a]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	S[5a](C[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H){2|C<3>,2|O<2>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[6a]S[5a])(O[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	109.5835	0.158	2	109.5835	0.025	2	109.9674	0.598	28	109.9266	0.825	47	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[6a]S[5a])(O[6]C[6])	C[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	S[5a](C[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H){2|C<3>,2|O<2>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[6a]S[5a])(O[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	109.0780	0.311	2	108.9580	0.092	3	109.9674	0.598	28	109.9266	0.825	47	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[6a]S[5a])(O[6]C[6])	C[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	S[5a](C[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H){2|C<3>,2|O<2>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[6a]S[5a])(O[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	108.7180	0.000	1	108.9580	0.092	3	109.9674	0.598	28	109.9266	0.825	47	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]N[6a])(S[5a]C[5a])	S[5a](C[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[6a]S[5a])(O[6]C[6])	C[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]N[6a])(S[5a]C[5a]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H){1|C<3>,1|N<2>,2|O<2>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[6a]S[5a])(O[6]C[6]){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	110.3148	0.295	4	110.3148	0.087	4	109.9674	0.598	28	109.9266	0.825	47	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]N[6a])(S[5a]C[5a])	S[5a](C[5a]C[5a,6]C[6a])2	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[6a]S[5a])(O[6]C[6])	C[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]N[6a])(S[5a]C[5a]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	S[5a](C[5a]C[5a,6]C[6a])2{2|C<3>,2|N<2>,2|O<2>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]C[6a]S[5a])(O[6]C[6]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	110.5743	0.559	12	110.5743	0.312	12	109.9674	0.598	28	109.9266	0.825	47	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:P-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(PC[5a]C[6a])(S[5a]C[5a])	S[5a](C[5a]C[5a,6]I)(C[5a]C[5a,6]P)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]P)(O[6]C[6])	C[5a](C[5a,6]C[5a,6]O[6])(PC[5a]C[6a])(S[5a]C[5a]){1|C<4>,1|I<1>,1|O<2>}	S[5a](C[5a]C[5a,6]I)(C[5a]C[5a,6]P){2|O<2>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]P)(O[6]C[6]){1|C<4>,1|I<1>,2|H<1>}	109.1345	0.210	2	109.1345	0.044	2	109.1345	0.044	2	109.9266	0.825	47	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:4:2:	3:3:	3:3:2:	C[5a,6]-3:C-4:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(CC[5a]C[6a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a,6]C)(C[5a]C[5a,6]I)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6])	C[5a](C[5a,6]C[5a,6]O[6])(CC[5a]C[6a]H)(S[5a]C[5a]){1|C<4>,1|I<1>,1|O<2>}	S[5a](C[5a]C[5a,6]C)(C[5a]C[5a,6]I){2|O<2>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6]){1|C<4>,1|I<1>,2|H<1>}	110.0110	0.670	2	110.0110	0.449	2	110.0110	0.449	2	109.8036	0.123	8	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:4:2:	3:3:	3:3:2:	C[5a,6]-3:C[5]-4:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[5a,6]C[5a,6]O[6])(C[5]C[5]2Fe)(S[5a]C[5a])	S[5a](C[5a]C[5a,6]C[5])2	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C[5])(O[6]C[6])	C[5a](C[5a,6]C[5a,6]O[6])(C[5]C[5]2Fe)(S[5a]C[5a]){1|O<2>,2|H<1>,4|C<4>}	S[5a](C[5a]C[5a,6]C[5])2{2|Fe<10>,2|O<2>,4|C<4>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C[5])(O[6]C[6]){1|Fe<10>,2|H<1>,4|C<4>}	109.7345	0.243	6	109.7345	0.059	6	109.7345	0.059	6	109.8036	0.123	8	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6]	3:4:2:	3:3:	3:3:3:	C[5a,6]-3:C[5]-4:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:N[6]-3:	C[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5]2Fe)(S[5a]C[5a])	S[5a](C[5a]C[5a,6]C[5])2	C[5a,6](C[5a,6]C[5a]N[6])(C[5a]S[5a]C[5])(N[6]C[6]C)	C[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5]2Fe)(S[5a]C[5a]){1|N<3>,2|H<1>,5|C<4>}	S[5a](C[5a]C[5a,6]C[5])2{2|Fe<10>,2|N<3>,4|C<4>}	C[5a,6](C[5a,6]C[5a]N[6])(C[5a]S[5a]C[5])(N[6]C[6]C){1|Fe<10>,2|H<1>,5|C<4>}	110.2900	0.000	1	110.2900	0.000	1	110.2900	0.000	1	110.2900	0.000	1	110.8023	1.762	197	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6a]	3:2:1:	3:2:	3:3:2:	C[5a,6a]-3:S[5a]-2:Br-1:	C[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a](C[5a,6a]C[5a,6a]N[6a])(S[5a]N[5a])(Br)	S[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]S[5a]Br)(N[6a]C[6a])	C[5a](C[5a,6a]C[5a,6a]N[6a])(S[5a]N[5a])(Br){2|C<3>}	S[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]S[5a]Br)(N[6a]C[6a]){1|N<2>,1|N<3>,1|O<1>}	109.4700	0.000	1	109.4700	0.000	1	109.4700	0.000	1	109.4700	0.000	1	110.0841	2.339	137	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6a]	3:2:1:	3:2:	3:3:3:	C[5a,6a]-3:S[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]N[6a])(S[5a]N[5a])(H)	S[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C[5])(C[5a]S[5a]H)	C[5a](C[5a,6a]C[5a,6a]N[6a])(S[5a]N[5a])(H){1|C<4>,2|C<3>}	S[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|C<3>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C[5])(C[5a]S[5a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	107.4890	0.000	1	107.5365	0.005	2	107.5365	0.005	2	107.5365	0.005	2	110.0841	2.339	137	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6a]	3:2:1:	3:2:	3:3:3:	C[5a,6a]-3:S[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]N[6a])(S[5a]N[5a])(H)	S[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C[5])(C[5a]S[5a]H)	C[5a](C[5a,6a]C[5a,6a]N[6a])(S[5a]N[5a])(H){1|C<4>,2|C<3>}	S[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|C<3>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C[5])(C[5a]S[5a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	107.5840	0.000	1	107.5365	0.005	2	107.5365	0.005	2	107.5365	0.005	2	110.0841	2.339	137	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6a]	3:2:1:	3:3:	3:2:3:	C[5a,6a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]N[6a])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a,6a]H)2	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[6a]C[5,6a])(C[5a]S[5a]H)	C[5a](C[5a,6a]C[5a,6a]N[6a])(S[5a]C[5a])(H){1|C<3>,1|H<1>,1|N<2>}	S[5a](C[5a]C[5a,6a]H)2{2|N<2>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[6a]C[5,6a])(C[5a]S[5a]H){1|H<1>,2|C<3>}	110.3610	0.331	2	110.3610	0.110	2	110.3610	0.110	2	110.3610	0.110	2	110.0841	2.339	137	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6a]	3:2:1:	3:3:	3:3:2:	C[5a,6a]-3:S[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a](C[5a,6a]C[5a,6a]N[6a])(S[5a]C[5a])(Br)	S[5a](C[5a]C[5a,6a]Br)2	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]Br)(N[6a]C[6a])	C[5a](C[5a,6a]C[5a,6a]N[6a])(S[5a]C[5a])(Br){1|Br<1>,1|C<3>,1|N<2>}	S[5a](C[5a]C[5a,6a]Br)2{2|N<2>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]Br)(N[6a]C[6a]){1|Br<1>,1|C<3>,1|C<4>}	112.3310	0.000	1	112.3310	0.000	1	112.3310	0.000	1	110.9338	0.667	5	110.0841	2.339	137	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6a]	3:2:1:	3:3:	3:3:2:	C[5a,6a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a](C[5a,6a]C[5a,6a]N[6a])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a,6a]H)2	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]H)(N[6a]C[6a])	C[5a](C[5a,6a]C[5a,6a]N[6a])(S[5a]C[5a])(H){1|C<3>,1|H<1>,1|N<2>}	S[5a](C[5a]C[5a,6a]H)2{2|N<2>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	110.5845	0.276	4	110.5845	0.076	4	110.5845	0.076	4	110.9338	0.667	5	110.0841	2.339	137	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(S[5a]C[5a,6a])(H)	S[5a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a,6a]C[5,6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[5a])(C[5a]S[5a]H)	C[5a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(S[5a]C[5a,6a])(H){4|C<3>}	S[5a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a]C[5a,6a]H){4|C<3>}	C[5a,6a](C[5a,6a,6a]C[5,6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[5a])(C[5a]S[5a]H){1|H<1>,1|S<2>,4|C<3>}	112.9670	0.000	1	112.9670	0.000	1	112.9670	0.000	1	111.0731	2.226	42	110.0841	2.339	137	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[5,6a])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a,6a]H)2	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[5a](C[5a,6a]C[5a,6a]C[5,6a])(S[5a]C[5a])(H){1|H<1>,3|C<3>}	S[5a](C[5a]C[5a,6a]H)2{2|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>}	112.0880	0.000	1	112.0880	0.000	1	112.0880	0.000	1	111.0731	2.226	42	110.0841	2.339	137	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]2)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a,6a]H)2	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[5a,6a]C[5,6a]C[5a])(C[5a]S[5a]H)	C[5a](C[5a,6a]C[5a,6a]2)(S[5a]C[5a])(H){1|H<1>,3|C<3>}	S[5a](C[5a]C[5a,6a]H)2{2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[5a,6a]C[5,6a]C[5a])(C[5a]S[5a]H){1|S<2>,2|H<1>,3|C<3>}	112.1530	0.000	1	112.1530	0.000	1	111.9787	0.072	23	111.0731	2.226	42	110.0841	2.339	137	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]2)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a,6a]H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])2(C[5a]S[5a]H)	C[5a](C[5a,6a]C[5a,6a]2)(S[5a]C[5a])(H){1|H<1>,3|C<3>}	S[5a](C[5a]C[5a,6a]H)2{2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])2(C[5a]S[5a]H){1|S<2>,2|H<1>,3|C<3>}	111.9708	0.271	22	111.9708	0.074	22	111.9787	0.072	23	111.0731	2.226	42	110.0841	2.339	137	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(H){4|C<3>}	S[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]H){2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]H)(C[6a]C[6a]2){6|C<3>}	111.5080	0.000	1	111.5080	0.000	1	110.2608	2.733	8	111.0731	2.226	42	110.0841	2.339	137	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]H)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(H){1|C<4>,1|H<1>,2|C<3>}	S[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]H){2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	106.2990	0.000	1	106.2990	0.000	1	110.2608	2.733	8	111.0731	2.226	42	110.0841	2.339	137	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]H)(C[6a]N[6a]N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(H){1|C<4>,1|N<3>,2|N<2>}	S[5a](C[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>}	110.4210	0.000	1	110.4210	0.000	1	110.2608	2.733	8	111.0731	2.226	42	110.0841	2.339	137	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]H)(C[6a]N[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	S[5a](C[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	110.7785	0.739	2	110.7785	0.546	2	110.2608	2.733	8	111.0731	2.226	42	110.0841	2.339	137	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a,6a]H)2	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]H)(C[6a]N[6a]N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(H){1|H<1>,1|N<2>,2|N<3>}	S[5a](C[5a]C[5a,6a]H)2{1|C<3>,1|N<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	110.7050	0.000	1	110.7050	0.000	1	110.2608	2.733	8	111.0731	2.226	42	110.0841	2.339	137	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a,6a]Si)(C[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(H){1|Si<4>,3|C<3>}	S[5a](C[5a]C[5a,6a]Si)(C[5a]C[5a,6a]H){2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]H)(C[6a]C[6a]2){1|Si<4>,2|H<1>,3|C<3>}	110.7980	0.008	2	110.7980	0.000	2	110.2608	2.733	8	111.0731	2.226	42	110.0841	2.339	137	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a,6a]H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6,6a]H)(C[5a]S[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(H){2|C<3>,2|H<1>}	S[5a](C[5a]C[5a,6a]H)2{2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6,6a]H)(C[5a]S[5a]H){2|C<3>,2|H<1>}	108.6135	0.507	4	108.6135	0.258	4	108.6135	0.258	4	111.0731	2.226	42	110.0841	2.339	137	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]N[6a])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C[5])(C[5a]S[5a]H)	C[5a](C[5a,6a]C[5a,6a]N[6a])(S[5a]C[5a])(H){2|C<3>,2|C<4>}	S[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]H){1|C<3>,1|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C[5])(C[5a]S[5a]H){1|H<1>,1|N<3>,1|O<2>,2|C<4>,2|O<1>}	110.3410	0.034	2	110.3410	0.001	2	110.3033	0.005	3	111.0731	2.226	42	110.0841	2.339	137	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]N[6a])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a,6a]H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C[5])(C[5a]S[5a]H)	C[5a](C[5a,6a]C[5a,6a]N[6a])(S[5a]C[5a])(H){1|C<4>,1|H<1>,2|C<3>}	S[5a](C[5a]C[5a,6a]H)2{1|C<3>,1|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C[5])(C[5a]S[5a]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	110.2280	0.000	1	110.2280	0.000	1	110.3033	0.005	3	111.0731	2.226	42	110.0841	2.339	137	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:O-1:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])(O)	S[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]S[5a]O)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])(O){1|H<1>,3|C<3>}	S[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]C){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]S[5a]O)(C[6a]C[6a]H){2|C<3>,2|H<1>}	107.5080	0.000	1	107.5080	0.000	1	107.5080	0.000	1	111.0731	2.226	42	110.0841	2.339	137	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:S-1:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(S)	S[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]S)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]S)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(S){1|H<1>,3|C<3>}	S[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]S){2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]S)(C[6a]C[6a]H){2|C<3>,2|H<1>}	109.5470	0.000	1	109.5470	0.000	1	109.5470	0.000	1	111.0731	2.226	42	110.0841	2.339	137	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6a]	3:2:2:	3:3:	3:3:2:	C[5a,6a]-3:S[5a]-2:C-2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a](C[5a,6a]C[5a,6a]N[6a])(S[5a]C[5a])(CC)	S[5a](C[5a]C[5a,6a]C)2	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]C)(N[6a]C[6a])	C[5a](C[5a,6a]C[5a,6a]N[6a])(S[5a]C[5a])(CC){1|C<2>,1|C<3>,1|N<2>}	S[5a](C[5a]C[5a,6a]C)2{2|N<2>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]C)(N[6a]C[6a]){1|C<2>,2|C<3>}	109.9360	0.014	2	109.9360	0.000	2	109.9360	0.000	2	109.9360	0.000	2	110.0841	2.339	137	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:N-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(S[5a]C[5a,6a])(NC)	S[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]N)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a]S[5a]N)(C[6a]C[6a]C)	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(S[5a]C[5a,6a])(NC){1|C<4>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]N){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a]S[5a]N)(C[6a]C[6a]C){1|H<1>,3|C<3>}	111.5090	0.000	1	111.5090	0.000	1	110.0500	4.577	10	110.0500	4.577	10	110.0841	2.339	137	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:N-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(S[5a]C[5a,6a])(NC)	S[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]N)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]N)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(S[5a]C[5a,6a])(NC){1|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]N){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]N)(C[6a]C[6a]H){1|H<1>,3|C<3>}	109.9090	0.000	1	110.2140	0.076	5	110.0500	4.577	10	110.0500	4.577	10	110.0841	2.339	137	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:N-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(S[5a]C[5a,6a])(NC)	S[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]N)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]N)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(S[5a]C[5a,6a])(NC){1|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]N){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]N)(C[6a]C[6a]H){1|H<1>,3|C<3>}	110.2903	0.251	4	110.2140	0.076	5	110.0500	4.577	10	110.0500	4.577	10	110.0841	2.339	137	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:N-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(S[5a]C[5a,6a])(NC)	S[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]N)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]N)(C[6a]C[6a]O)	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(S[5a]C[5a,6a])(NC){1|O<2>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]N){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]N)(C[6a]C[6a]O){1|H<1>,3|C<3>}	109.4802	3.527	4	109.4802	12.441	4	110.0500	4.577	10	110.0500	4.577	10	110.0841	2.339	137	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(S[5a]C[5a,6a])(CC[6a]H)	S[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(S[5a]C[5a,6a])(CC[6a]H){1|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]C){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]C)(C[6a]C[6a]H){1|H<1>,3|C<3>}	109.6940	0.910	3	109.6940	0.829	3	109.6940	0.829	3	110.3751	0.533	17	110.0841	2.339	137	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(CCH)	S[5a](C[5a]C[5a,6a]C)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(CCH){1|H<1>,3|C<3>}	S[5a](C[5a]C[5a,6a]C)2{2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	110.7240	0.167	2	110.7240	0.028	2	110.3126	0.469	8	110.3751	0.533	17	110.0841	2.339	137	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(CC[5]H)	S[5a](C[5a]C[5a,6a]C)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(CC[5]H){1|H<1>,3|C<3>}	S[5a](C[5a]C[5a,6a]C)2{2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	110.3920	0.223	4	110.3920	0.050	4	110.3126	0.469	8	110.3751	0.533	17	110.0841	2.339	137	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(CC[6a]H)	S[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]S)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(CC[6a]H){1|H<1>,1|S<1>,2|C<3>}	S[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]S){2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]C)(C[6a]C[6a]H){1|C<3>,1|S<1>,2|H<1>}	108.7190	0.000	1	108.7190	0.000	1	110.3126	0.469	8	110.3751	0.533	17	110.0841	2.339	137	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(CN[5]O)	S[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(CN[5]O){1|H<1>,3|C<3>}	S[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]H){2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]C)(C[6a]C[6a]2){1|H<1>,5|C<3>}	110.7660	0.000	1	110.7660	0.000	1	110.3126	0.469	8	110.3751	0.533	17	110.0841	2.339	137	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(S[5a]C[5a])(CCC)	S[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a,6a]C[6a,6a]2)(C[5a]S[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(S[5a]C[5a])(CCC){1|N<3>,3|C<3>}	S[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]N){2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a,6a]C[6a,6a]2)(C[5a]S[5a]C){1|N<3>,1|O<1>,1|O<2>,3|C<3>}	111.1070	0.000	1	111.1070	0.000	1	111.1070	0.000	1	110.3751	0.533	17	110.0841	2.339	137	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	S[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){3|H<1>,5|C<3>}	S[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a]C[6a]S[5a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	110.7712	0.562	4	110.7712	0.316	4	110.7712	0.316	4	110.3751	0.533	17	110.0841	2.339	137	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(NHH)	S[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]N)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]S[5a]N)(C[6a]O[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(NHH){1|O<1>,1|O<2>,2|C<3>}	S[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]N){2|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]S[5a]N)(C[6a]O[6a]O){3|C<3>}	110.6010	0.000	1	110.6010	0.000	1	110.6010	0.000	1	110.3751	0.533	17	110.0841	2.339	137	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6a]	3:2:4:	3:3:	3:2:3:	C[5a,6a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:S[6a]-2:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]S[6a])(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a,6a]C)2	C[5a,6a](C[5a,6a]C[5a]S[6a])(S[6a]C[6a,6a])(C[5a]S[5a]C)	C[5a](C[5a,6a]C[5a,6a]S[6a])(S[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|S<2>}	S[5a](C[5a]C[5a,6a]C)2{2|S<2>}	C[5a,6a](C[5a,6a]C[5a]S[6a])(S[6a]C[6a,6a])(C[5a]S[5a]C){1|C<3>,1|C<4>,1|S<2>}	109.6528	0.224	12	109.6528	0.050	12	109.6528	0.050	12	109.6528	0.050	12	110.0841	2.339	137	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6a]	3:2:4:	3:3:	3:3:2:	C[5a,6a]-3:S[5a]-2:Si-4:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a](C[5a,6a]C[5a,6a]N[6a])(S[5a]C[5a])(SiSiCC)	S[5a](C[5a]C[5a,6a]Si)2	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]Si)(N[6a]C[6a])	C[5a](C[5a,6a]C[5a,6a]N[6a])(S[5a]C[5a])(SiSiCC){1|Si<4>,1|C<3>,1|N<2>}	S[5a](C[5a]C[5a,6a]Si)2{2|N<2>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]Si)(N[6a]C[6a]){1|Si<4>,1|C<3>,1|C<4>}	107.4160	0.136	2	107.4160	0.018	2	107.4160	0.018	2	107.4160	0.018	2	110.0841	2.339	137	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[5,6a])(S[5a]C[5a])(CCCH)	S[5a](C[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]C[6a])(C[5a]S[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[5,6a])(S[5a]C[5a])(CCCH){1|C<4>,3|C<3>}	S[5a](C[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){4|C<3>}	C[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]C[6a])(C[5a]S[5a]C){2|C<3>,2|F<1>,3|C<4>}	109.6060	0.000	1	109.6060	0.000	1	109.6060	0.000	1	109.6307	1.045	23	110.0841	2.339	137	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]2)(S[5a]C[5a])(CCHH)	S[5a](C[5a]C[5a,6a]C)2	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])2(C[5a]S[5a]C)	C[5a](C[5a,6a]C[5a,6a]2)(S[5a]C[5a])(CCHH){1|C<4>,3|C<3>}	S[5a](C[5a]C[5a,6a]C)2{2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])2(C[5a]S[5a]C){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	110.0410	0.099	2	110.0410	0.010	2	110.2869	0.104	13	109.6307	1.045	23	110.0841	2.339	137	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]2)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a,6a]C)2	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])2(C[5a]S[5a]C)	C[5a](C[5a,6a]C[5a,6a]2)(S[5a]C[5a])(CH3){1|C<4>,3|C<3>}	S[5a](C[5a]C[5a,6a]C)2{2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])2(C[5a]S[5a]C){1|S<2>,2|C<4>,3|C<3>}	110.3316	0.330	11	110.3316	0.109	11	110.2869	0.104	13	109.6307	1.045	23	110.0841	2.339	137	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(CCHH)	S[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(CCHH){2|C<3>,2|H<1>}	S[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]H){2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	110.1450	0.000	1	110.1450	0.000	1	109.9673	0.035	3	109.6307	1.045	23	110.0841	2.339	137	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]C)(C[6a]N[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(CH3){1|H<1>,1|O<1>,2|N<3>}	S[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]H){1|C<3>,1|N<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]C)(C[6a]N[6a]O){1|C<3>,1|C<4>,2|H<1>}	109.8785	0.153	2	109.8785	0.024	2	109.9673	0.035	3	109.6307	1.045	23	110.0841	2.339	137	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:Si-4:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(SiC3)	S[5a](C[5a]C[5a,6a]Si)(C[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]Si)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(SiC3){2|C<3>,2|H<1>}	S[5a](C[5a]C[5a,6a]Si)(C[5a]C[5a,6a]H){2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]Si)(C[6a]C[6a]H){2|C<3>,2|H<1>}	108.3525	0.088	2	108.3525	0.008	2	108.0447	0.130	6	109.6307	1.045	23	110.0841	2.339	137	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:Si-4:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(SiC3)	S[5a](C[5a]C[5a,6a]Si)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]Si)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(SiC3){1|Si<4>,3|C<3>}	S[5a](C[5a]C[5a,6a]Si)2{2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]Si)(C[6a]C[6a]2){1|Si<4>,2|H<1>,3|C<3>}	107.6155	0.077	2	107.6155	0.006	2	108.0447	0.130	6	109.6307	1.045	23	110.0841	2.339	137	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:Si-4:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(SiC3)	S[5a](C[5a]C[5a,6a]Si)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]Si)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(SiC3){1|Si<4>,1|H<1>,2|C<3>}	S[5a](C[5a]C[5a,6a]Si)2{2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]Si)(C[6a]C[6a]H){1|Si<4>,1|H<1>,2|C<3>}	108.1660	0.218	2	108.1660	0.047	2	108.0447	0.130	6	109.6307	1.045	23	110.0841	2.339	137	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a]C[5a,6a]C[5a])2	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]C[5a]S[5a])(N[6a]C[6a,6a])	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]S[5a])(S[5a]C[5a]){1|H<1>,1|N<3>,4|C<3>}	S[5a](C[5a]C[5a,6a]C[5a])2{1|N<2>,1|N<3>,2|C<3>,2|S<2>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]C[5a]S[5a])(N[6a]C[6a,6a]){1|C<4>,1|S<2>,4|C<3>}	109.2670	0.000	1	109.2670	0.000	1	109.2670	0.000	1	109.2670	0.000	1	110.0841	2.339	137	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-3:	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a]C[5a,6a]C[5a])2	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]C[5a]S[5a])(N[6a]C[6a,6a]C)	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]S[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	S[5a](C[5a]C[5a,6a]C[5a])2{1|N<2>,1|N<3>,2|C<3>,2|S<2>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]C[5a]S[5a])(N[6a]C[6a,6a]C){1|N<2>,1|S<2>,3|C<3>}	109.6430	0.000	1	109.6430	0.000	1	109.8150	0.023	3	110.0417	0.117	6	110.0841	2.339	137	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-3:	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a]C[5a,6a]C[5a])2	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]C[5a]S[5a])(N[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]S[5a])(S[5a]C[5a]){1|N<3>,2|H<1>,4|C<3>}	S[5a](C[5a]C[5a,6a]C[5a])2{2|C<3>,2|N<3>,2|S<2>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]C[5a]S[5a])(N[6a]C[6a]H){1|H<1>,1|O<1>,1|S<2>,3|C<3>}	109.9010	0.042	2	109.9010	0.002	2	109.8150	0.023	3	110.0417	0.117	6	110.0841	2.339	137	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5,6a]C[5a])(C[5a]C[6a]S[5a])(C[6a]C[6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(S[5a]C[5a]){2|C<4>,2|H<1>,4|C<3>}	S[5a](C[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){4|C<3>}	C[5a,6a](C[5a,6a]C[5,6a]C[5a])(C[5a]C[6a]S[5a])(C[6a]C[6a]C){2|C<4>,4|C<3>}	110.6420	0.000	1	110.6420	0.000	1	110.2683	0.116	3	110.0417	0.117	6	110.0841	2.339	137	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(S[5a]C[5a]){3|H<1>,5|C<3>}	S[5a](C[5a]C[5a,6a]C[6a])2{6|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	110.0815	0.151	2	110.0815	0.023	2	110.2683	0.116	3	110.0417	0.117	6	110.0841	2.339	137	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6a]	3:4:2:	3:2:	3:3:2:	C[5a,6a]-3:C[5]-4:S[5a]-2:	C[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(S[5a]N[5a])	S[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]S[5a]C[5])(N[6a]C[6a])	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(S[5a]N[5a]){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	S[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]S[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	107.9600	0.000	1	107.9600	0.000	1	107.9600	0.000	1	107.9600	0.000	1	110.0841	2.339	137	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6a]	3:4:2:	3:2:	3:3:3:	C[5a,6a]-3:C[5]-4:S[5a]-2:	C[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-3:	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(S[5a]N[5a])	S[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]S[5a]C[5])(N[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(S[5a]N[5a]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	S[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]S[5a]C[5])(N[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	106.8015	0.329	4	106.9142	0.132	6	106.9142	0.132	6	106.9142	0.132	6	110.0841	2.339	137	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6a]	3:4:2:	3:2:	3:3:3:	C[5a,6a]-3:C[5]-4:S[5a]-2:	C[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-3:	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(S[5a]N[5a])	S[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]S[5a]C[5])(N[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(S[5a]N[5a]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	S[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]S[5a]C[5])(N[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	107.1395	0.429	2	106.9142	0.132	6	106.9142	0.132	6	106.9142	0.132	6	110.0841	2.339	137	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6a]	3:4:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5]-4:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]2Fe)(S[5a]C[5a])	S[5a](C[5a]C[5a,6a]C[5])2	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]C[5])(N[6a]C[6a])	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]2Fe)(S[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	S[5a](C[5a]C[5a,6a]C[5])2{2|Fe<10>,2|N<2>,4|C<4>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]C[5])(N[6a]C[6a]){1|Fe<10>,1|C<3>,1|H<1>,3|C<4>}	108.8835	0.152	2	108.8835	0.023	2	109.7284	0.636	5	109.7284	0.636	5	110.0841	2.339	137	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6a]	3:4:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5]-4:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(S[5a]C[5a])	S[5a](C[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]C[5])(N[6a]C[6a])	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(S[5a]C[5a]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	S[5a](C[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	110.2910	0.378	2	110.2917	0.071	3	109.7284	0.636	5	109.7284	0.636	5	110.0841	2.339	137	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a,6a]	3:4:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5]-4:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(S[5a]C[5a])	S[5a](C[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]C[5])(N[6a]C[6a])	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(S[5a]C[5a]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	S[5a](C[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	110.2930	0.000	1	110.2917	0.071	3	109.7284	0.636	5	109.7284	0.636	5	110.0841	2.339	137	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:2:	3:2:3:	C[5a]-3:S[5a]-2:O-1:	C[5a]-3:S[5a]-2:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(S[5a]S[5a])(O)	S[5a](C[5a]C[5a]O)(S[5a]N[5a])	C[5a](C[5a]S[5a]O)(N[5a]S[5a])(CC[6a]O)	C[5a](C[5a]N[5a]C)(S[5a]S[5a])(O)	S[5a](C[5a]C[5a]O)(S[5a]N[5a]){1|C<3>}	C[5a](C[5a]S[5a]O)(N[5a]S[5a])(CC[6a]O)	109.7120	0.199	4	109.7120	0.040	4	109.7120	0.040	4	109.7120	0.040	4	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:2:	3:2:4:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(S[5a]N[5a])(H)	S[5a](C[5a]C[5a]H)(N[5a]N[5a])	C[5a](C[5a]S[5a]H)(N[5a]N[5a])(CCHS)	C[5a](C[5a]N[5a]C)(S[5a]N[5a])(H)	S[5a](C[5a]C[5a]H)(N[5a]N[5a]){1|C<4>}	C[5a](C[5a]S[5a]H)(N[5a]N[5a])(CCHS)	108.7640	0.000	1	108.7640	0.000	1	108.7640	0.000	1	108.7640	0.000	1	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:2:	3:3:1:	C[5a]-3:S[5a]-2:Cl-1:	C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:Cl-1:	C[5a](C[5a]C[5a]Cl)(S[5a]S[5a])(Cl)	S[5a](C[5a]C[5a]Cl)(S[5a]C[5a])	C[5a](C[5a]S[5a]Cl)(C[5a]S[5a]O)(Cl)	C[5a](C[5a]C[5a]Cl)(S[5a]S[5a])(Cl){1|O<1>}	S[5a](C[5a]C[5a]Cl)(S[5a]C[5a]){1|Cl<1>,1|O<1>}	C[5a](C[5a]S[5a]Cl)(C[5a]S[5a]O)(Cl)	119.1260	0.000	1	119.1260	0.000	1	119.1260	0.000	1	113.8203	21.167	3	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:2:	3:3:1:	C[5a]-3:S[5a]-2:O-1:	C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:Cl-1:	C[5a](C[5a]C[5a]Cl)(S[5a]S[5a])(O)	S[5a](C[5a]C[5a]O)(S[5a]C[5a])	C[5a](C[5a]S[5a]Cl)(C[5a]S[5a]O)(Cl)	C[5a](C[5a]C[5a]Cl)(S[5a]S[5a])(O){1|Cl<1>}	S[5a](C[5a]C[5a]O)(S[5a]C[5a]){2|Cl<1>}	C[5a](C[5a]S[5a]Cl)(C[5a]S[5a]O)(Cl)	110.9340	0.000	1	110.9340	0.000	1	111.1675	0.109	2	113.8203	21.167	3	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:2:	3:3:1:	C[5a]-3:S[5a]-2:O-1:	C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:Cl-1:	C[5a](C[5a]C[5a]Cl)(S[5a]S[5a])(O)	S[5a](C[5a]C[5a]O)(S[5a]C[5a])	C[5a](C[5a]S[5a]N)(C[5a]S[5a]O)(Cl)	C[5a](C[5a]C[5a]Cl)(S[5a]S[5a])(O){1|N<3>}	S[5a](C[5a]C[5a]O)(S[5a]C[5a]){1|Cl<1>,1|N<3>}	C[5a](C[5a]S[5a]N)(C[5a]S[5a]O)(Cl)	111.4010	0.000	1	111.4010	0.000	1	111.1675	0.109	2	113.8203	21.167	3	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:2:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(S[5a]N[5a])(H)	S[5a](C[5a]C[5a]H)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O[5a])(C[5a]S[5a]H)	C[5a](C[5a]C[5a]2)(S[5a]N[5a])(H){1|C<3>,1|N<2>,1|O<2>}	S[5a](C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O[5a])(C[5a]S[5a]H){1|S<2>,3|C<3>}	109.2500	0.000	1	109.2500	0.000	1	109.2500	0.000	1	109.9500	0.627	4	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:2:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(S[5a]N[5a])(H)	S[5a](C[5a]C[5a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a]H)(C[5a]S[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(S[5a]N[5a])(H){1|H<1>,2|C<3>}	S[5a](C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|H<1>}	C[5a](C[5a]N[5a]H)(C[5a]S[5a]H)(C[6a]C[6a]2){2|C<3>,2|H<1>}	110.1833	0.783	3	110.1833	0.614	3	110.1833	0.614	3	109.9500	0.627	4	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:2:1:	C[5a]-3:S[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(Br)	S[5a](C[5a]C[5a]Br)(C[5a]N[5a]N)	C[5a](C[5a]S[5a]Br)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(Br){1|N<3>}	S[5a](C[5a]C[5a]Br)(C[5a]N[5a]N){1|H<1>}	C[5a](C[5a]S[5a]Br)(N[5a]C[5a])(H){1|N<3>}	111.6480	0.000	1	111.6480	0.000	1	110.6770	1.387	3	110.3217	0.348	119	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:2:1:	C[5a]-3:S[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(Br)	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]Br)	C[5a](C[5a]S[5a]Br)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(Br){1|C<3>}	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]Br){1|H<1>,2|C<3>}	C[5a](C[5a]S[5a]Br)(N[5a]C[5a])(H){1|C<3>}	110.1915	1.166	2	110.1915	1.360	2	110.6770	1.387	3	110.3217	0.348	119	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:2:1:	C[5a]-3:S[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(Cl)	S[5a](C[5a]C[5a]Cl)(C[5a]N[5a]N)	C[5a](C[5a]S[5a]Cl)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(Cl){1|N<3>}	S[5a](C[5a]C[5a]Cl)(C[5a]N[5a]N){1|H<1>}	C[5a](C[5a]S[5a]Cl)(N[5a]C[5a])(H){1|N<3>}	111.6280	0.000	1	111.6280	0.000	1	111.6280	0.000	1	110.3217	0.348	119	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:2:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:Br-1:	C[5a](C[5a]N[5a]Br)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(Br)	C[5a](C[5a]N[5a]Br)(S[5a]C[5a])(H){1|C<3>}	S[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|Br<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(Br){1|C<3>}	109.1695	0.704	2	109.1695	0.495	2	109.1695	0.495	2	110.3217	0.348	119	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:2:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5,6]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(H){1|C<4>}	S[5a](C[5a]C[5,6]N[5a])(C[5a]C[5a]H){2|C<4>,2|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H){1|C<4>}	109.8130	0.000	1	109.8130	0.000	1	110.3379	0.284	111	110.3217	0.348	119	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:2:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(H){1|C<3>}	S[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H){1|C<3>}	110.3786	0.478	8	110.3597	0.307	12	110.3379	0.284	111	110.3217	0.348	119	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:2:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(H){1|C<4>}	S[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H){1|C<4>}	110.3217	0.768	4	110.3597	0.307	12	110.3379	0.284	111	110.3217	0.348	119	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:2:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]N[5a]N)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(H){1|N<2>}	S[5a](C[5a]C[5a]H)(C[5a]N[5a]N){1|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H){1|N<2>}	110.1268	0.397	12	110.3446	0.234	63	110.3379	0.284	111	110.3217	0.348	119	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:2:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]N[5a]N)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(H){1|N<3>}	S[5a](C[5a]C[5a]H)(C[5a]N[5a]N){1|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H){1|N<3>}	110.3558	0.458	49	110.3446	0.234	63	110.3379	0.284	111	110.3217	0.348	119	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:2:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]N[5a]N)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(H){1|N<4>}	S[5a](C[5a]C[5a]H)(C[5a]N[5a]N){1|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H){1|N<4>}	111.3760	0.061	2	110.3446	0.234	63	110.3379	0.284	111	110.3217	0.348	119	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:2:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]N[5a]P)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(H){1|P<4>}	S[5a](C[5a]C[5a]H)(C[5a]N[5a]P){1|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H){1|P<4>}	110.3920	0.000	1	110.3920	0.000	1	110.3379	0.284	111	110.3217	0.348	119	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:2:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]N[5a]S)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(H){1|S<2>}	S[5a](C[5a]C[5a]H)(C[5a]N[5a]S){1|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H){1|S<2>}	109.7190	0.396	4	110.1584	0.381	7	110.3379	0.284	111	110.3217	0.348	119	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:2:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]N[5a]S)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(H){1|S<4>}	S[5a](C[5a]C[5a]H)(C[5a]N[5a]S){1|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H){1|S<4>}	110.7443	0.072	3	110.1584	0.381	7	110.3379	0.284	111	110.3217	0.348	119	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:2:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(H){1|C<3>}	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H){1|C<3>}	110.0662	0.115	4	110.2084	0.070	9	110.3379	0.284	111	110.3217	0.348	119	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:2:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(H){1|C<3>}	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H){1|H<1>,1|N<2>,1|S<2>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H){1|C<3>}	110.6210	0.000	1	110.2084	0.070	9	110.3379	0.284	111	110.3217	0.348	119	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:2:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(H){1|C<3>}	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H){1|H<1>,2|C<3>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H){1|C<3>}	110.2475	0.297	4	110.2084	0.070	9	110.3379	0.284	111	110.3217	0.348	119	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:2:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(H){1|C<3>}	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H){1|H<1>,2|C<3>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H){1|C<3>}	110.1298	0.567	4	110.1298	0.321	4	110.3379	0.284	111	110.3217	0.348	119	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:2:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(H){1|C<3>}	S[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H){1|H<1>,2|C<3>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H){1|C<3>}	110.2595	0.033	2	109.9745	0.136	4	110.3379	0.284	111	110.3217	0.348	119	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:2:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(H){1|C<4>}	S[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H){1|N<3>,1|O<2>,2|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H){1|C<4>}	109.4870	0.000	1	109.9745	0.136	4	110.3379	0.284	111	110.3217	0.348	119	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:2:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(H){1|C<4>}	S[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H){2|H<1>,2|N<3>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H){1|C<4>}	109.8920	0.000	1	109.9745	0.136	4	110.3379	0.284	111	110.3217	0.348	119	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:2:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(H){1|C<3>}	S[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H){1|C<3>}	111.0335	0.917	6	110.7679	0.717	9	110.3379	0.284	111	110.3217	0.348	119	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:2:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(H){1|C<3>}	S[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|O<2>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H){1|C<3>}	110.6460	0.000	1	110.7679	0.717	9	110.3379	0.284	111	110.3217	0.348	119	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:2:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(H){1|C<4>}	S[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|O<2>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H){1|C<4>}	110.0320	0.054	2	110.7679	0.717	9	110.3379	0.284	111	110.3217	0.348	119	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:2:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]N[5a]N[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(H){1|N<3>}	S[5a](C[5a]N[5a]N[5])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H){1|N<3>}	110.9680	0.000	1	110.9680	0.000	1	110.3379	0.284	111	110.3217	0.348	119	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:2:1:	C[5a]-3:S[5a]-2:I-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(I)	S[5a](C[5a]C[5a]I)(C[5a]N[5a]I)	C[5a](C[5a]S[5a]I)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(I){1|I<1>}	S[5a](C[5a]C[5a]I)(C[5a]N[5a]I){1|H<1>}	C[5a](C[5a]S[5a]I)(N[5a]C[5a])(H){1|I<1>}	109.5840	0.000	1	109.5840	0.000	1	109.5840	0.000	1	110.3217	0.348	119	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:2:1:	C[5a]-3:S[5a]-2:I-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:I-1:	C[5a](C[5a]N[5a]I)(S[5a]C[5a])(I)	S[5a](C[5a]N[5a]Br)(C[5a]C[5a]I)	C[5a](C[5a]S[5a]I)(N[5a]C[5a])(I)	C[5a](C[5a]N[5a]I)(S[5a]C[5a])(I){1|Br<1>}	S[5a](C[5a]N[5a]Br)(C[5a]C[5a]I){1|I<1>}	C[5a](C[5a]S[5a]I)(N[5a]C[5a])(I){1|Br<1>}	109.1960	0.000	1	109.1960	0.000	1	109.1960	0.000	1	110.3217	0.348	119	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:2:2:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:O-2:	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]N[5a]N)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(OC)	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(H){1|N<3>}	S[5a](C[5a]C[5a]H)(C[5a]N[5a]N){1|O<2>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(OC){1|N<3>}	109.0170	0.021	2	109.0170	0.000	2	109.2820	0.211	3	109.2820	0.211	3	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:2:2:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:O-2:	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(OH)	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(H){1|C<3>}	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H){1|N<2>,1|O<2>,1|S<2>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(OH){1|C<3>}	109.8120	0.000	1	109.8120	0.000	1	109.2820	0.211	3	109.2820	0.211	3	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:2:3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CCH)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H){1|C<4>}	S[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<3>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CCH){1|C<4>}	110.5943	0.384	8	110.5943	0.148	8	109.9397	0.471	52	111.0989	5.578	77	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:2:3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CNO)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H){1|C<4>}	S[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<3>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CNO){1|C<4>}	109.6263	0.487	31	109.6263	0.237	31	109.9397	0.471	52	111.0989	5.578	77	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:2:3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]N[5a]N)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CCN)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H){1|N<3>}	S[5a](C[5a]C[5a]H)(C[5a]N[5a]N){1|C<3>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CCN){1|N<3>}	110.3556	0.496	5	110.3556	0.246	5	109.9397	0.471	52	111.0989	5.578	77	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:2:3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]N[5a]N)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CNO)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H){1|N<3>}	S[5a](C[5a]C[5a]H)(C[5a]N[5a]N){1|C<3>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CNO){1|N<3>}	110.6680	0.590	2	110.6680	0.348	2	109.9397	0.471	52	111.0989	5.578	77	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:2:3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H)	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CNO)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H){1|C<3>}	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H){3|C<3>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CNO){1|C<3>}	111.2040	0.000	1	111.2040	0.000	1	109.9397	0.471	52	111.0989	5.578	77	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:2:3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H)	S[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CNO)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H){1|C<4>}	S[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CNO){1|C<4>}	109.3413	1.005	3	109.3413	1.011	3	109.9397	0.471	52	111.0989	5.578	77	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:2:3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H)	S[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(COO)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H){1|C<3>}	S[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H){3|C<3>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(COO){1|C<3>}	110.2600	0.000	1	110.2600	0.000	1	109.9397	0.471	52	111.0989	5.578	77	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:2:3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H)	S[5a](C[5a]N[5a]N[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(COO)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H){1|N<3>}	S[5a](C[5a]N[5a]N[5])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|N<2>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(COO){1|N<3>}	111.0910	0.000	1	111.0910	0.000	1	109.9397	0.471	52	111.0989	5.578	77	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:2:3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[5]-3:	C[5a](C[5a]N[5a]C[5])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	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){1|H<1>,2|N<3>}	S[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(C[5]N[5]2){2|C<3>,3|H<1>}	110.2267	0.136	3	110.2267	0.019	3	110.2267	0.019	3	111.0989	5.578	77	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:2:3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:C-3:	C[5a](C[5a]S[5a]C)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]S[5a]O)	C[5a](C[5a]S[5a]H)(S[5a]C[5a])(CCS)	C[5a](C[5a]S[5a]C)(S[5a]C[5a])(H){1|O<1>}	S[5a](C[5a]C[5a]H)(C[5a]S[5a]O){1|C<3>}	C[5a](C[5a]S[5a]H)(S[5a]C[5a])(CCS){1|O<1>}	119.4600	0.728	3	119.4600	0.530	3	119.4600	0.530	3	111.0989	5.578	77	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:2:3:	C[5a]-3:S[5a]-2:O-1:	C[5a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:C[5]-3:	C[5a](C[5a]S[5a]C[5])(S[5a]C[5a])(O)	S[5a](C[5a]S[5a]C[5])(C[5a]C[5a]O)	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){1|C<3>,2|S<2>}	S[5a](C[5a]S[5a]C[5])(C[5a]C[5a]O){1|C<3>,2|S<2>}	C[5a](C[5a]S[5a]O)(S[5a]C[5a])(C[5]S[5]2){1|C<2>,2|C<3>}	114.8490	0.000	1	113.0893	2.316	19	113.0893	2.316	19	111.0989	5.578	77	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:2:3:	C[5a]-3:S[5a]-2:O-1:	C[5a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:C[5]-3:	C[5a](C[5a]S[5a]C[5])(S[5a]C[5a])(O)	S[5a](C[5a]S[5a]C[5])(C[5a]C[5a]O)	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){1|C<3>,2|S<2>}	S[5a](C[5a]S[5a]C[5])(C[5a]C[5a]O){1|C<3>,2|S<2>}	C[5a](C[5a]S[5a]O)(S[5a]C[5a])(C[5]S[5]2){3|C<3>}	112.9915	1.503	18	113.0893	2.316	19	113.0893	2.316	19	111.0989	5.578	77	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:2:4:	C[5a]-3:S[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(Br)	S[5a](C[5a]C[5a]Br)(C[5a]N[5a]N)	C[5a](C[5a]S[5a]Br)(N[5a]C[5a])(CH3)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(Br){1|N<3>}	S[5a](C[5a]C[5a]Br)(C[5a]N[5a]N){1|C<4>}	C[5a](C[5a]S[5a]Br)(N[5a]C[5a])(CH3){1|N<3>}	114.1230	0.000	1	114.1230	0.000	1	112.9420	2.790	2	111.1733	0.746	42	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:2:4:	C[5a]-3:S[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(Br)	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]Br)	C[5a](C[5a]S[5a]Br)(N[5a]C[5a])(CCHH)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(Br){1|C<3>}	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]Br){1|C<4>,1|N<2>,1|S<2>}	C[5a](C[5a]S[5a]Br)(N[5a]C[5a])(CCHH){1|C<3>}	111.7610	0.000	1	111.7610	0.000	1	112.9420	2.790	2	111.1733	0.746	42	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:2:4:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CH3)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H){1|C<3>}	S[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CH3){1|C<3>}	111.2357	0.260	3	111.2357	0.068	3	111.0849	0.544	40	111.1733	0.746	42	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:2:4:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CHHO)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H){1|H<1>}	S[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CHHO){1|H<1>}	109.8175	0.590	2	109.8175	0.349	2	111.0849	0.544	40	111.1733	0.746	42	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:2:4:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]N[5a]N)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CC3)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H){1|N<2>}	S[5a](C[5a]C[5a]H)(C[5a]N[5a]N){1|C<4>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CC3){1|N<2>}	111.0800	0.000	1	111.0800	0.000	1	111.0849	0.544	40	111.1733	0.746	42	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:2:4:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]N[5a]N)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CCHH)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H){1|N<2>}	S[5a](C[5a]C[5a]H)(C[5a]N[5a]N){1|C<4>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CCHH){1|N<2>}	111.3755	0.510	2	111.1227	0.322	3	111.0849	0.544	40	111.1733	0.746	42	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:2:4:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]N[5a]N)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CCHH)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H){1|N<3>}	S[5a](C[5a]C[5a]H)(C[5a]N[5a]N){1|C<4>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CCHH){1|N<3>}	110.6170	0.000	1	111.1227	0.322	3	111.0849	0.544	40	111.1733	0.746	42	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:2:4:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]N[5a]N)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H){1|N<3>}	S[5a](C[5a]C[5a]H)(C[5a]N[5a]N){1|C<4>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CC[6a]HH){1|N<3>}	110.3590	0.000	1	110.3590	0.000	1	111.0849	0.544	40	111.1733	0.746	42	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:2:4:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]N[5a]N)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CClHH)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H){1|N<3>}	S[5a](C[5a]C[5a]H)(C[5a]N[5a]N){1|C<4>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CClHH){1|N<3>}	111.5665	0.057	2	111.5665	0.003	2	111.0849	0.544	40	111.1733	0.746	42	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:2:4:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]N[5a]N)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CH3)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H){1|N<2>}	S[5a](C[5a]C[5a]H)(C[5a]N[5a]N){1|C<4>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CH3){1|N<2>}	111.8828	0.850	4	111.6141	0.286	14	111.0849	0.544	40	111.1733	0.746	42	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:2:4:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]N[5a]N)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CH3)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H){1|N<3>}	S[5a](C[5a]C[5a]H)(C[5a]N[5a]N){1|C<4>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CH3){1|N<3>}	111.5066	0.357	10	111.6141	0.286	14	111.0849	0.544	40	111.1733	0.746	42	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:2:4:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]N[5a]N)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CHHS)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H){1|N<2>}	S[5a](C[5a]C[5a]H)(C[5a]N[5a]N){1|C<4>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CHHS){1|N<2>}	109.9255	0.057	2	109.9255	0.003	2	111.0849	0.544	40	111.1733	0.746	42	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:2:4:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CCHH)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H){1|C<3>}	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H){1|C<4>,1|N<2>,1|S<2>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CCHH){1|C<3>}	111.1525	0.132	2	111.1525	0.017	2	111.0849	0.544	40	111.1733	0.746	42	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:2:4:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H)	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CCCH)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H){1|C<3>}	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H){1|C<4>,2|C<3>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CCCH){1|C<3>}	111.0240	0.000	1	111.0240	0.000	1	111.0849	0.544	40	111.1733	0.746	42	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:2:4:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H)	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CH3)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H){1|C<3>}	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H){1|C<4>,2|C<3>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CH3){1|C<3>}	111.0580	0.000	1	111.0580	0.000	1	111.0849	0.544	40	111.1733	0.746	42	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:2:4:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H)	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CHHO)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H){1|C<3>}	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H){1|C<4>,2|C<3>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CHHO){1|C<3>}	110.1215	0.556	2	110.1215	0.310	2	111.0849	0.544	40	111.1733	0.746	42	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:2:4:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H)	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CHHS)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H){1|C<3>}	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H){1|C<4>,2|C<3>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CHHS){1|C<3>}	111.6230	0.000	1	111.6230	0.000	1	111.0849	0.544	40	111.1733	0.746	42	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:2:4:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H)	S[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CC3)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H){1|C<4>}	S[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<4>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CC3){1|C<4>}	110.7140	0.849	4	110.7140	0.720	4	111.0849	0.544	40	111.1733	0.746	42	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:2:4:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H)	S[5a](C[5a]N[5a]Cl)(C[5a]C[5a]H)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CN[5]HH)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(H){1|Cl<1>}	S[5a](C[5a]N[5a]Cl)(C[5a]C[5a]H){1|C<4>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CN[5]HH){1|Cl<1>}	110.5570	0.000	1	110.5570	0.000	1	111.0849	0.544	40	111.1733	0.746	42	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Br-1:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(Br)	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]Br)	C[5a](C[5,5a]C[5,5a]As[5])(C[5a]S[5a]Br)(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(Br){1|As<3>,1|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]Br){1|As<3>,1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5,5a]C[5,5a]As[5])(C[5a]S[5a]Br)(H){3|C<3>}	113.6412	0.622	4	113.6412	0.386	4	113.9193	0.580	17	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Br-1:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(Br)	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]Br)	C[5a](C[5,5a]C[5,5a]C[5,6])(C[5a]S[5a]Br)(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(Br){1|C<3>,1|C<4>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]Br){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5a](C[5,5a]C[5,5a]C[5,6])(C[5a]S[5a]Br)(H){2|C<3>,2|C<4>}	114.0960	0.025	2	114.0960	0.001	2	113.9193	0.580	17	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Br-1:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(Br)	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]Br)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]Br)(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(Br){2|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]Br){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]Br)(H){1|O<1>,2|C<3>}	114.3473	0.710	8	114.3473	0.504	8	113.9193	0.580	17	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Br-1:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(Br)	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]Br)	C[5a](C[5,5a]C[5,5a]P[5])(C[5a]S[5a]Br)(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(Br){1|C<3>,1|P<4>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]Br){1|C<3>,1|H<1>,1|P<4>,1|S<2>}	C[5a](C[5,5a]C[5,5a]P[5])(C[5a]S[5a]Br)(H){1|O<1>,3|C<3>}	112.8395	0.416	2	112.8395	0.173	2	113.9193	0.580	17	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Br-1:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(Br)	S[5a](C[5,5a]C[5,5a]Si[5])(C[5a]C[5a]Br)	C[5a](C[5,5a]C[5,5a]2)(C[5a]S[5a]Br)(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(Br){1|Si<4>,1|C<3>}	S[5a](C[5,5a]C[5,5a]Si[5])(C[5a]C[5a]Br){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[5,5a]C[5,5a]2)(C[5a]S[5a]Br)(H){1|Si<4>,2|C<3>}	113.4140	0.000	1	113.4140	0.000	1	113.9193	0.580	17	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Br-1:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(Br)	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]Br)	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]Br)(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(Br){1|C<3>,1|N<3>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]Br){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]Br)(H){3|C<3>}	115.2150	0.122	2	115.2150	0.015	2	114.8483	0.512	9	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Br-1:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(Br)	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]Br)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]Br)(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(Br){1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]Br){1|C<3>,1|H<1>,2|S<2>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]Br)(H){2|C<3>}	114.7840	0.000	1	114.5495	0.110	2	114.8483	0.512	9	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Br-1:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(Br)	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]Br)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]Br)(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(Br){1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]Br){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]Br)(H){2|C<3>}	114.3150	0.000	1	114.5495	0.110	2	114.8483	0.512	9	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Br-1:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(Br)	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]Br)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]Br)(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(Br){1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]Br){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]Br)(H){2|C<3>}	114.3525	0.060	2	114.3525	0.004	2	114.8483	0.512	9	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Br-1:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(Br)	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]Br)	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]Br)(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(Br){1|N<2>,1|N<3>}	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]Br){1|C<3>,1|H<1>,1|N<3>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]Br)(H){1|C<3>,1|H<1>,1|N<2>}	116.4160	0.000	1	116.4160	0.000	1	114.8483	0.512	9	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Br-1:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(Br)	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]Br)	C[5a](C[5a,5a]C[5a,5a]2)(C[5a]S[5a]Br)(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(Br){1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]Br){1|H<1>,2|C<3>}	C[5a](C[5a,5a]C[5a,5a]2)(C[5a]S[5a]Br)(H){1|C<3>,2|S<2>}	114.0930	0.000	1	114.0930	0.000	1	114.8483	0.512	9	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Br-1:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(Br)	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]Br)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]Br)(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(Br){2|S<2>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]Br){1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]Br)(H){1|C<3>,1|S<2>}	114.8920	0.000	1	114.8920	0.000	1	114.8483	0.512	9	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Br-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(Br)	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]Br)	C[5a](C[5a,6]C[5a,6]C[3x6])(C[5a]S[5a]Br)(H)	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(Br){1|C<3>,1|C<4>}	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]Br){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5a](C[5a,6]C[5a,6]C[3x6])(C[5a]S[5a]Br)(H){1|C<3>,1|C<4>,2|O<2>}	113.4800	0.000	1	113.4800	0.000	1	113.5913	0.562	6	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Br-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(Br)	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]Br)	C[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]S[5a]Br)(H)	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(Br){1|C<3>,1|C<4>}	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]Br){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]S[5a]Br)(H){1|C<3>,1|C<4>,2|O<2>}	113.3735	0.521	2	113.3735	0.272	2	113.5913	0.562	6	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Br-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(Br)	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]Br)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]Br)(H)	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(Br){2|C<3>}	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]Br){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]Br)(H){1|O<1>,2|C<3>}	113.1535	0.146	2	113.1535	0.021	2	113.5913	0.562	6	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Br-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(Br)	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]Br)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]Br)(H)	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(Br){2|C<3>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]Br){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]Br)(H){1|H<1>,2|C<3>}	115.0140	0.000	1	115.0140	0.000	1	113.5913	0.562	6	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Br-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a,6a]Br)(S[5a]C[5a,6a])(Br)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Br)	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]S[5a]Br)(Br)	C[5a](C[5a]C[5a,6a]Br)(S[5a]C[5a,6a])(Br){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Br){1|Br<1>,1|C<4>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]S[5a]Br)(Br){3|C<3>}	114.4830	0.000	1	114.4830	0.000	1	114.4830	0.000	1	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Br-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(Br)	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]Br)	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]S[5a]Br)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(Br){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]Br){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]S[5a]Br)(H){3|C<3>}	113.7265	0.713	2	113.7265	0.509	2	114.0250	0.383	5	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Br-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(Br)	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]Br)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]Br)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(Br){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]Br){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]Br)(H){1|C<3>,1|C<4>,1|N<2>}	113.9210	0.420	2	113.9210	0.176	2	114.0250	0.383	5	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Br-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(Br)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Br)	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]S[5a]Br)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(Br){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Br){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]S[5a]Br)(H){3|C<3>}	114.8300	0.000	1	114.8300	0.000	1	114.0250	0.383	5	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a]Br)(S[5a]C[5a])(Br)	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]S)	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]H)(Br)	C[5a](C[5a]C[5a]Br)(S[5a]C[5a])(Br){1|H<1>,1|S<4>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]S){1|Br<1>,1|H<1>}	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]H)(Br){1|S<4>}	115.1840	0.184	2	115.1840	0.034	2	115.1840	0.034	2	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br)	S[5a](C[5a]C[5,5]C[5a])(C[5a]C[5a]Br)	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br){1|C<4>,1|H<1>}	S[5a](C[5a]C[5,5]C[5a])(C[5a]C[5a]Br){1|O<2>,2|C<4>,2|H<1>}	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]H)(H){1|C<4>}	113.6210	0.000	1	113.6210	0.000	1	113.2134	0.721	130	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br)	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]Br)(C[5a]S[5a]Br)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br){1|Br<1>,1|C<3>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2){1|Br<1>,1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]Br)(C[5a]S[5a]Br)(H){1|C<3>}	114.2820	0.000	1	114.2820	0.000	1	113.2134	0.721	130	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br)	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2)	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br){2|C<3>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]2)(H){1|S<2>,2|C<3>}	117.4090	0.000	1	117.4090	0.000	1	113.2134	0.721	130	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br)	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2)	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br){1|C<3>,1|C<4>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]C)(H){1|C<3>}	112.5924	0.746	9	112.6846	0.437	12	113.2134	0.721	130	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br)	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2)	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br){1|C<3>,1|C<4>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]C)(H){1|C<3>}	112.8850	0.099	2	112.6846	0.437	12	113.2134	0.721	130	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br)	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2)	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br){2|C<3>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]C)(H){1|C<3>}	113.1130	0.000	1	112.6846	0.437	12	113.2134	0.721	130	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br)	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2)	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2){1|C<3>,1|N<3>,2|H<1>}	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]H)(H){1|C<3>}	113.3023	0.343	4	113.0250	0.445	21	113.2134	0.721	130	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br)	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2)	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]H)(H){1|C<3>}	112.8245	0.882	10	113.0250	0.445	21	113.2134	0.721	130	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br)	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2)	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2){1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]H)(H){1|C<3>}	113.0822	0.387	5	113.0250	0.445	21	113.2134	0.721	130	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br)	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2)	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2){1|N<2>,1|O<2>,2|H<1>}	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]H)(H){1|C<3>}	113.4700	0.000	1	113.0250	0.445	21	113.2134	0.721	130	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br)	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2)	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2){2|C<3>,2|H<1>}	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]H)(H){1|C<3>}	113.1910	0.000	1	113.0250	0.445	21	113.2134	0.721	130	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br)	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2)	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]O)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br){1|C<3>,1|O<2>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2){1|C<3>,1|H<1>,1|O<2>,1|S<2>}	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]O)(H){1|C<3>}	114.3220	0.000	1	114.3220	0.000	1	113.2134	0.721	130	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br)	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]Br)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br){1|C<3>,1|C<4>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]Br)(H){1|C<3>,1|H<1>,2|O<2>}	113.4610	0.150	2	113.4610	0.022	2	113.2134	0.721	130	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br)	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]Pd)(C[5a]S[5a]Br)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br){1|Pd<4>,1|C<4>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]C){1|Pd<4>,1|H<1>}	C[5a](C[5a]C[5a]Pd)(C[5a]S[5a]Br)(H){1|C<4>}	113.1580	0.000	1	113.1580	0.000	1	113.2134	0.721	130	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br)	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br){1|C<2>,1|H<1>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]C){2|H<1>}	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]H)(H){1|C<2>}	113.0510	0.000	1	113.2717	0.222	39	113.2134	0.721	130	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br)	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]C){2|H<1>}	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]H)(H){1|C<3>}	113.3630	0.422	32	113.2717	0.222	39	113.2134	0.721	130	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br)	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]C){2|H<1>}	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]H)(H){1|C<4>}	112.8212	0.529	6	113.2717	0.222	39	113.2134	0.721	130	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br)	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]P)	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br){1|H<1>,1|P<3>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]P){2|H<1>}	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]H)(H){1|P<3>}	113.0200	0.514	3	113.0495	0.154	6	113.2134	0.721	130	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br)	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]P)	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br){1|H<1>,1|P<4>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]P){2|H<1>}	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]H)(H){1|P<4>}	113.0790	0.345	3	113.0495	0.154	6	113.2134	0.721	130	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br)	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]S)	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br){1|H<1>,1|S<4>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]S){2|H<1>}	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]H)(H){1|S<4>}	113.3762	0.344	4	113.3762	0.118	4	113.2134	0.721	130	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br)	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]Se)	C[5a](C[5a]C[5a]C[6])(C[5a]S[5a]Br)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br){1|Se<3>,1|C<3>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]Se){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[6])(C[5a]S[5a]Br)(H){1|Se<3>,2|C<3>}	113.6630	0.000	1	113.6630	0.000	1	113.2134	0.721	130	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br)	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]Sn)	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br){1|Sn<4>,1|C<2>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]Sn){1|C<2>,1|H<1>}	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]C)(H){1|Sn<4>}	112.5160	0.000	1	112.5160	0.000	1	113.2134	0.721	130	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br)	S[5a](C[5a]C[5a]Br)2	C[5a](C[5a]C[5a]C[4])(C[5a]S[5a]Br)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br){1|Br<1>,1|C<4>}	S[5a](C[5a]C[5a]Br)2{1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C[4])(C[5a]S[5a]Br)(H){1|Br<1>,1|H<1>,2|C<4>}	113.1415	0.145	2	113.1415	0.021	2	113.2134	0.721	130	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br)	S[5a](C[5a]C[5a]Br)2	C[5a](C[5a]C[5a]C[6])(C[5a]S[5a]Br)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br){1|Br<1>,1|C<3>}	S[5a](C[5a]C[5a]Br)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[6])(C[5a]S[5a]Br)(H){1|Br<1>,2|C<3>}	113.1480	0.000	1	113.1480	0.000	1	113.2134	0.721	130	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br)	S[5a](C[5a]C[5a]Br)2	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]Br)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br){1|Br<1>,1|C<3>}	S[5a](C[5a]C[5a]Br)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]Br)(H){1|Br<1>,2|C<3>}	113.1208	0.211	6	113.1208	0.044	6	113.2134	0.721	130	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br)	S[5a](C[5a]C[5a]Br)2	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br){1|Br<1>,1|C<3>}	S[5a](C[5a]C[5a]Br)2{1|C<3>,1|H<1>}	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]C)(H){1|Br<1>}	113.0110	0.423	2	113.0110	0.179	2	113.2134	0.721	130	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br)	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]Br)	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]Br){1|Se<2>,1|C<3>,2|H<1>}	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]H)(H){1|C<3>}	112.5365	0.810	4	113.4137	3.177	13	113.2134	0.721	130	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br)	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]Br)	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]Br){2|C<3>,2|H<1>}	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]H)(H){1|C<3>}	119.0440	0.000	1	113.4137	3.177	13	113.2134	0.721	130	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br)	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]Br)	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]Br){1|C<4>,1|N<3>,3|H<1>}	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]H)(H){1|C<4>}	113.2140	0.380	5	113.4137	3.177	13	113.2134	0.721	130	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br)	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]Br)	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]Br){1|C<4>,2|H<1>,2|O<2>}	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]H)(H){1|C<4>}	113.0475	0.418	2	113.4137	3.177	13	113.2134	0.721	130	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br)	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]Br)	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]Br){2|N<3>,3|H<1>}	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]H)(H){1|C<4>}	113.0230	0.000	1	113.4137	3.177	13	113.2134	0.721	130	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br)	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]Br)	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]Br){2|C<3>,2|H<1>}	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]H)(H){1|C<3>}	112.9217	0.091	3	112.9217	0.008	3	113.2134	0.721	130	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br)	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]Br)	C[5a](C[5a]C[5a]Br)(C[5a]S[5a]Br)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br){1|Br<1>,1|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]Br){1|Br<1>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]Br)(C[5a]S[5a]Br)(H){1|C<3>}	113.4650	0.000	1	113.4650	0.000	1	113.2134	0.721	130	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br)	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]Br)	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br){1|C<3>,1|C<4>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]Br){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]C)(H){1|C<3>}	112.4910	0.491	2	112.4910	0.241	2	113.2134	0.721	130	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br)	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]Br)	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]Br){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]H)(H){1|C<3>}	113.4278	0.274	6	113.4278	0.075	6	113.2134	0.721	130	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br)	S[5a](C[5a]C[5a]N[5])(C[5a]C[5a]Br)	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br){1|H<1>,1|N<3>}	S[5a](C[5a]C[5a]N[5])(C[5a]C[5a]Br){2|C<3>,2|H<1>}	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]H)(H){1|N<3>}	114.7520	0.000	1	114.7520	0.000	1	113.2134	0.721	130	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br)	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]Br)	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br){1|H<1>,1|N<3>}	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]Br){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]H)(H){1|N<3>}	113.0740	0.000	1	112.8105	0.139	2	113.2134	0.721	130	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br)	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]Br)	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Br){1|H<1>,1|N<3>}	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]Br){2|C<3>,2|H<1>}	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]H)(H){1|N<3>}	112.5470	0.000	1	112.8105	0.139	2	113.2134	0.721	130	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Cl-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(Cl)	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]Cl)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]Cl)(H)	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(Cl){2|C<3>}	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]Cl){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]Cl)(H){1|O<1>,2|C<3>}	113.6705	0.278	2	113.6705	0.077	2	114.0556	0.437	9	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Cl-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(Cl)	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]Cl)	C[5a](C[5a,6]C[5a,6]C[6,6])(C[5a]S[5a]Cl)(H)	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(Cl){2|C<4>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]Cl){2|C<4>,3|H<1>}	C[5a](C[5a,6]C[5a,6]C[6,6])(C[5a]S[5a]Cl)(H){4|C<4>}	113.4435	0.540	2	113.4435	0.291	2	114.0556	0.437	9	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Cl-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(Cl)	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]Cl)	C[5a](C[5a,6]C[5a,6]S[6])(C[5a]S[5a]Cl)(H)	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(Cl){1|C<3>,1|S<4>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]Cl){1|C<3>,1|H<1>,1|O<1>,1|S<4>}	C[5a](C[5a,6]C[5a,6]S[6])(C[5a]S[5a]Cl)(H){1|C<3>,1|N<3>,2|O<1>}	114.4673	0.063	3	114.4544	0.322	5	114.0556	0.437	9	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Cl-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(Cl)	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]Cl)	C[5a](C[5a,6]C[5a,6]S[6])(C[5a]S[5a]Cl)(H)	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(Cl){1|C<3>,1|S<4>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]Cl){1|C<3>,1|H<1>,1|O<2>,1|S<4>}	C[5a](C[5a,6]C[5a,6]S[6])(C[5a]S[5a]Cl)(H){1|C<3>,1|N<3>,2|O<1>}	114.4350	1.131	2	114.4544	0.322	5	114.0556	0.437	9	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Cl)	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]Cl)	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Cl){1|Br<1>,1|C<3>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]Cl){1|C<3>,1|H<1>}	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]2)(H){1|Br<1>,2|C<3>}	113.2270	0.057	2	113.2270	0.003	2	113.1952	0.168	74	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Cl)	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]Cl)	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Cl){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]Cl){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]H)(H){1|C<3>}	112.7470	0.000	1	113.0690	0.179	3	113.1952	0.168	74	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Cl)	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]Cl)	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Cl){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]Cl){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]H)(H){1|C<4>}	113.2300	0.450	2	113.0690	0.179	3	113.1952	0.168	74	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Cl)	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]Cl)	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Cl){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]Cl){1|C<4>,1|N<2>,2|H<1>}	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]H)(H){1|C<3>}	113.4670	0.337	2	113.4670	0.113	2	113.1952	0.168	74	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Cl)	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]Cl)	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Cl){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]Cl){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]H)(H){1|C<3>}	113.3666	0.222	7	113.3666	0.049	7	113.1952	0.168	74	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Cl)	S[5a](C[5a]C[5a]Cl)(C[5a]C[5a]2)	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Cl){2|C<3>}	S[5a](C[5a]C[5a]Cl)(C[5a]C[5a]2){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]2)(H){3|C<3>}	113.0148	0.334	16	113.0148	0.112	16	113.1952	0.168	74	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Cl)	S[5a](C[5a]C[5a]Cl)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]Cl)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Cl){1|C<3>,1|C<4>}	S[5a](C[5a]C[5a]Cl)(C[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]Cl)(H){1|C<3>,2|C<4>}	112.5817	0.448	4	112.5817	0.201	4	113.1952	0.168	74	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Cl)	S[5a](C[5a]C[5a]Cl)(C[5a]C[5a]C)	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Cl){1|C<3>,1|C<4>}	S[5a](C[5a]C[5a]Cl)(C[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]2)(H){1|C<3>,1|C<4>,1|N<2>}	112.6590	0.000	1	113.1130	0.412	2	113.1952	0.168	74	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Cl)	S[5a](C[5a]C[5a]Cl)(C[5a]C[5a]C)	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Cl){1|C<3>,1|C<4>}	S[5a](C[5a]C[5a]Cl)(C[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]2)(H){1|C<3>,1|C<4>,1|N<3>}	113.5670	0.000	1	113.1130	0.412	2	113.1952	0.168	74	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Cl)	S[5a](C[5a]C[5a]Cl)(C[5a]C[5a]C)	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Cl){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]Cl)(C[5a]C[5a]C){2|H<1>}	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]H)(H){1|C<3>}	113.3496	0.471	13	113.3494	0.191	19	113.1952	0.168	74	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Cl)	S[5a](C[5a]C[5a]Cl)(C[5a]C[5a]C)	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Cl){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]Cl)(C[5a]C[5a]C){2|H<1>}	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]H)(H){1|C<4>}	113.3490	0.395	6	113.3494	0.191	19	113.1952	0.168	74	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Cl)	S[5a](C[5a]C[5a]Cl)(C[5a]C[5a]H)	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Cl){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]Cl)(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]2)(H){1|H<1>,2|C<3>}	113.0330	0.139	2	113.0330	0.019	2	113.1952	0.168	74	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Cl)	S[5a](C[5a]C[5a]Cl)(C[5a]C[5a]N)	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Cl){1|H<1>,1|N<3>}	S[5a](C[5a]C[5a]Cl)(C[5a]C[5a]N){2|H<1>}	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]H)(H){1|N<3>}	113.9910	0.000	1	113.9910	0.000	1	113.1952	0.168	74	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Cl)	S[5a](C[5a]C[5a]Cl)2	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]Cl)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Cl){1|Cl<1>,1|C<3>}	S[5a](C[5a]C[5a]Cl)2{1|C<3>,1|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>}	113.5850	0.000	1	113.5850	0.000	1	113.1952	0.168	74	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Cl)	S[5a](C[5a]C[5a]Cl)2	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Cl){1|Cl<1>,1|C<3>}	S[5a](C[5a]C[5a]Cl)2{1|C<3>,1|H<1>}	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]2)(H){1|Cl<1>,2|C<3>}	113.5042	0.212	4	113.5042	0.045	4	113.1952	0.168	74	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Cl)	S[5a](C[5a]C[5a]Cl)2	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Cl){1|Cl<1>,1|C<3>}	S[5a](C[5a]C[5a]Cl)2{1|C<3>,1|H<1>}	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]C)(H){1|Cl<1>}	113.1085	0.320	11	113.1085	0.103	11	113.1952	0.168	74	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Cl-1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]N[5a])(Cl)	S[5a](C[5a]C[5a]Cl)(N[5a]C[5a]C)	C[5a](C[5a]S[5a]Cl)(C[5a]N[5a]O)(H)	C[5a](C[5a]C[5a]H)(S[5a]N[5a])(Cl){1|C<4>,1|O<1>}	S[5a](C[5a]C[5a]Cl)(N[5a]C[5a]C){1|H<1>,1|O<1>}	C[5a](C[5a]S[5a]Cl)(C[5a]N[5a]O)(H){1|C<4>}	114.0405	0.142	2	114.0405	0.020	2	114.0405	0.020	2	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Cl-1:	N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]N[5a])(Cl)	S[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]Cl)	C[5a](C[5a]S[5a]Cl)(C[5a]N[5a]O)(H)	C[5a](C[5a]C[5a]H)(S[5a]N[5a])(Cl){1|C<3>,1|O<1>}	S[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]Cl){1|H<1>,1|O<1>,2|C<3>}	C[5a](C[5a]S[5a]Cl)(C[5a]N[5a]O)(H){1|C<3>}	114.5810	0.000	1	114.5810	0.000	1	114.5810	0.000	1	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:F-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(F)	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]F)	C[5a](C[5a,6]C[5a,6]C[3x6])(C[5a]S[5a]F)(H)	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(F){1|C<3>,1|C<4>}	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]F){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5a](C[5a,6]C[5a,6]C[3x6])(C[5a]S[5a]F)(H){1|C<3>,1|C<4>,2|O<2>}	115.5035	0.105	2	115.5035	0.011	2	115.5927	0.016	4	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:F-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(F)	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]F)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]F)(H)	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(F){2|C<3>}	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]F){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]F)(H){1|O<1>,2|C<3>}	115.6820	0.064	2	115.6820	0.004	2	115.5927	0.016	4	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5,5a]Br)(S[5a]C[5,5a])(H)	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)	C[5a](C[5,5a]C[5,5a]2)(C[5a]S[5a]H)(Br)	C[5a](C[5a]C[5,5a]Br)(S[5a]C[5,5a])(H){2|C<3>}	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]H){1|Br<1>,1|O<1>,2|C<3>}	C[5a](C[5,5a]C[5,5a]2)(C[5a]S[5a]H)(Br){3|C<3>}	112.9645	0.962	2	112.9645	0.926	2	112.9645	0.926	2	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(H)	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H)	C[5a](C[5,5a]C[5,5a]As[5])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(H){1|As<3>,1|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H){1|As<3>,1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5,5a]C[5,5a]As[5])(C[5a]S[5a]H)(H){3|C<3>}	113.0745	0.445	2	113.0745	0.198	2	113.1712	0.717	127	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(H)	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H)	C[5a](C[5,5a]C[5,5a]C[5,6])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(H){1|C<3>,1|C<4>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5a](C[5,5a]C[5,5a]C[5,6])(C[5a]S[5a]H)(H){2|C<3>,2|C<4>}	113.1437	0.265	4	113.1437	0.070	4	113.1712	0.717	127	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(H)	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(H){1|C<3>,1|C<4>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]H)(H){2|C<3>,2|H<1>}	112.7622	0.073	4	113.0349	0.165	17	113.1712	0.717	127	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(H)	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(H){2|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]H)(H){1|C<2>,2|C<3>}	113.3350	1.148	2	113.0349	0.165	17	113.1712	0.717	127	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(H)	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(H){2|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]H)(H){3|C<3>}	113.0795	0.285	11	113.0349	0.165	17	113.1712	0.717	127	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(H)	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H)	C[5a](C[5,5a]C[5,5a]Ga[5,5])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(H){1|Ga<4>,1|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H){1|Ga<4>,1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5,5a]C[5,5a]Ga[5,5])(C[5a]S[5a]H)(H){1|N<4>,3|C<3>}	112.0420	0.000	1	112.0420	0.000	1	113.1712	0.717	127	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(H)	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H)	C[5a](C[5,5a]C[5,5a]Ge[5])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(H){1|Ge<4>,1|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H){1|Ge<4>,1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5,5a]C[5,5a]Ge[5])(C[5a]S[5a]H)(H){1|Ge<4>,1|C<4>,2|C<3>}	112.0138	0.455	4	112.0138	0.207	4	113.1712	0.717	127	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(H)	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H)	C[5a](C[5,5a]C[5,5a]P[5,5])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(H){1|C<3>,1|P<5>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|P<5>,1|S<2>}	C[5a](C[5,5a]C[5,5a]P[5,5])(C[5a]S[5a]H)(H){2|O<2>,3|C<3>}	112.7937	0.306	10	112.7937	0.093	10	113.1712	0.717	127	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(H)	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H)	C[5a](C[5,5a]C[5,5a]P[5])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(H){1|C<3>,1|P<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|P<3>,1|S<2>}	C[5a](C[5,5a]C[5,5a]P[5])(C[5a]S[5a]H)(H){3|C<3>}	112.6145	0.258	2	112.6897	0.300	35	113.1712	0.717	127	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(H)	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H)	C[5a](C[5,5a]C[5,5a]P[5])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(H){1|C<3>,1|P<4>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|P<4>,1|S<2>}	C[5a](C[5,5a]C[5,5a]P[5])(C[5a]S[5a]H)(H){1|C<4>,3|C<3>}	113.1866	0.443	8	112.6897	0.300	35	113.1712	0.717	127	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(H)	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H)	C[5a](C[5,5a]C[5,5a]P[5])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(H){1|C<3>,1|P<4>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|P<4>,1|S<2>}	C[5a](C[5,5a]C[5,5a]P[5])(C[5a]S[5a]H)(H){1|O<1>,3|C<3>}	112.4915	0.564	17	112.6897	0.300	35	113.1712	0.717	127	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(H)	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H)	C[5a](C[5,5a]C[5,5a]P[5])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(H){1|C<3>,1|P<4>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|P<4>,1|S<2>}	C[5a](C[5,5a]C[5,5a]P[5])(C[5a]S[5a]H)(H){1|W<6>,3|C<3>}	112.6328	0.377	8	112.6897	0.300	35	113.1712	0.717	127	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(H)	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H)	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(H){1|C<3>,1|S<4>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|S<2>,1|S<4>}	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]S[5a]H)(H){2|C<3>,2|O<1>}	113.3900	0.000	1	113.3900	0.000	1	113.1712	0.717	127	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(H)	S[5a](C[5,5a]C[5,5a]C[5,6])(C[5a]C[5a]H)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(H){2|C<4>}	S[5a](C[5,5a]C[5,5a]C[5,6])(C[5a]C[5a]H){1|N<3>,2|C<4>,2|H<1>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]H)(H){2|C<4>,2|H<1>}	112.5010	0.000	1	112.5010	0.000	1	113.1712	0.717	127	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(H)	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]H)	C[5a](C[5,5a]C[5,5a]C[5,6])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(H){1|C<3>,1|C<4>}	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5,5a]C[5,5a]C[5,6])(C[5a]S[5a]H)(H){4|C<3>}	113.4200	0.000	1	113.4200	0.000	1	113.1712	0.717	127	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(H)	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]H)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(H){1|C<3>,1|C<4>}	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]H)(H){1|H<1>,3|C<3>}	112.6430	0.000	1	113.1213	0.674	4	113.1712	0.717	127	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(H)	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]H)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(H){1|C<3>,1|C<4>}	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]H)(H){2|C<3>,2|C<4>}	112.7465	0.063	2	113.1213	0.674	4	113.1712	0.717	127	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(H)	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]H)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(H){2|C<3>}	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]H)(H){3|C<3>}	114.3490	0.000	1	113.1213	0.674	4	113.1712	0.717	127	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(H)	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)	C[5a](C[5,5a]C[5,5a]2)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(H){2|C<3>}	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a](C[5,5a]C[5,5a]2)(C[5a]S[5a]H)(H){3|C<3>}	113.8835	0.127	2	113.8835	0.016	2	113.1712	0.717	127	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(H)	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)	C[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(H){1|C<3>,1|C<4>}	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]H){1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]S[5a]H)(H){1|C<4>,2|C<3>}	113.7340	0.316	4	113.5958	0.171	5	113.1712	0.717	127	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(H)	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)	C[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(H){2|C<3>}	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]S[5a]H)(H){3|C<3>}	113.0430	0.000	1	113.5958	0.171	5	113.1712	0.717	127	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(H)	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(H){1|C<3>,1|C<4>}	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|S<1>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]H)(H){4|C<3>}	113.6890	0.000	1	113.9812	0.848	32	113.1712	0.717	127	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(H)	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(H){1|C<3>,1|C<4>}	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]H)(H){1|C<3>,2|C<4>}	112.9430	0.000	1	113.9812	0.848	32	113.1712	0.717	127	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(H)	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(H){1|C<3>,1|C<4>}	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]H)(H){1|H<1>,1|N<3>,2|C<3>}	115.3080	0.000	1	113.9812	0.848	32	113.1712	0.717	127	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(H)	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(H){1|C<3>,1|C<4>}	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]H){1|H<1>,1|O<1>,2|C<4>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	113.9410	0.000	1	113.9812	0.848	32	113.1712	0.717	127	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(H)	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(H){2|C<3>}	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]H)(H){1|H<1>,2|C<3>}	114.1328	0.778	26	113.9812	0.848	32	113.1712	0.717	127	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(H)	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(H){2|C<4>}	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]H){2|C<4>,3|H<1>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]H)(H){1|C<3>,1|H<1>,2|C<4>}	111.9190	0.000	1	113.9812	0.848	32	113.1712	0.717	127	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(H)	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(H){2|C<4>}	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]H){2|C<4>,3|H<1>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]H)(H){1|H<1>,1|N<3>,2|C<4>}	112.1440	0.000	1	113.9812	0.848	32	113.1712	0.717	127	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(H)	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)	C[5a](C[5,5a]C[5,5a]N[5])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(H){1|C<3>,1|N<3>}	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5,5a]C[5,5a]N[5])(C[5a]S[5a]H)(H){1|C<4>,2|C<3>}	114.1665	0.054	2	114.0807	0.024	3	113.1712	0.717	127	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(H)	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)	C[5a](C[5,5a]C[5,5a]N[5])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(H){1|C<3>,1|N<3>}	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5,5a]C[5,5a]N[5])(C[5a]S[5a]H)(H){1|H<1>,2|C<3>}	113.9090	0.000	1	114.0807	0.024	3	113.1712	0.717	127	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(H)	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(H){1|C<3>,1|S<4>}	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]H){1|C<3>,1|S<4>,2|H<1>}	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]S[5a]H)(H){2|C<3>,2|O<1>}	113.4320	0.235	2	113.4320	0.055	2	113.1712	0.717	127	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(H)	S[5a](C[5,5a]C[5,5a]Si[5])(C[5a]C[5a]H)	C[5a](C[5,5a]C[5,5a]2)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(H){1|Si<4>,1|C<3>}	S[5a](C[5,5a]C[5,5a]Si[5])(C[5a]C[5a]H){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[5,5a]C[5,5a]2)(C[5a]S[5a]H)(H){1|Si<4>,2|C<3>}	112.0697	0.394	3	112.0697	0.155	3	113.1712	0.717	127	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a,5a]Br)(S[5a]C[5a,5a])(H)	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(Br)	C[5a](C[5a]C[5a,5a]Br)(S[5a]C[5a,5a])(H){1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]H){1|Br<1>,1|S<2>,2|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(Br){2|C<3>}	113.8880	0.000	1	113.8880	0.000	1	112.4443	1.772	3	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a,5a]Br)(S[5a]C[5a,5a])(H)	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]2)(C[5a]S[5a]H)(Br)	C[5a](C[5a]C[5a,5a]Br)(S[5a]C[5a,5a])(H){1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]H){1|Br<1>,2|C<3>}	C[5a](C[5a,5a]C[5a,5a]2)(C[5a]S[5a]H)(Br){1|S<2>,2|C<3>}	111.7225	0.647	2	111.7225	0.419	2	112.4443	1.772	3	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(H)	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(H){1|C<3>,1|N<3>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]H)(H){1|C<4>,2|C<3>}	113.7680	0.360	5	113.7532	0.141	25	114.0810	1.667	102	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(H)	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(H){1|C<3>,1|N<3>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]H)(H){3|C<3>}	113.7494	0.388	20	113.7532	0.141	25	114.0810	1.667	102	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(H)	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]O[5a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(H){1|C<3>,1|O<2>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|O<2>,1|S<2>}	C[5a](C[5a,5a]C[5a,5a]O[5a])(C[5a]S[5a]H)(H){2|C<3>}	113.0380	0.000	1	113.0380	0.000	1	114.0810	1.667	102	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(H)	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(H){1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(H){2|C<3>}	114.2970	0.048	2	113.7992	0.166	12	114.0810	1.667	102	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(H)	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(H){1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,2|S<2>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(H){2|C<3>}	113.6867	0.390	9	113.7992	0.166	12	114.0810	1.667	102	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(H)	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(H){1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(H){2|C<3>}	113.8160	0.000	1	113.7992	0.166	12	114.0810	1.667	102	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(H)	S[5a](C[5a,5a]C[5a,5a]C[5,5a])(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(H){1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]C[5,5a])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|P<4>,1|S<2>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(H){2|C<3>}	113.5130	0.000	1	113.5130	0.000	1	114.0810	1.667	102	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(H)	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(H){2|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]H)(H){3|C<3>}	112.8750	0.000	2	112.8750	0.000	2	114.0810	1.667	102	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(H)	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(H){1|C<3>,1|N<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]H)(H){1|C<4>,2|C<3>}	113.9824	0.517	7	113.9732	0.195	11	114.0810	1.667	102	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(H)	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(H){1|C<3>,1|N<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]H)(H){1|H<1>,2|C<3>}	113.9570	0.342	4	113.9732	0.195	11	114.0810	1.667	102	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(H)	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(H){1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(H){2|C<3>}	113.7261	0.365	7	113.7261	0.133	7	114.0810	1.667	102	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(H)	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(H){1|C<3>,1|N<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]H)(H){1|H<1>,2|C<3>}	114.2540	0.008	2	114.2540	0.000	2	114.0810	1.667	102	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(H)	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]O[5a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(H){1|C<3>,1|O<2>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H){1|C<3>,1|O<2>,2|H<1>}	C[5a](C[5a,5a]C[5a,5a]O[5a])(C[5a]S[5a]H)(H){2|C<3>}	113.5523	0.397	3	113.5523	0.158	3	114.0810	1.667	102	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(H)	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(H){1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(H){2|C<3>}	115.3320	2.501	19	114.8465	5.208	26	114.0810	1.667	102	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(H)	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(H){1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(H){2|C<3>}	113.5286	0.394	7	114.8465	5.208	26	114.0810	1.667	102	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(H)	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(H){1|C<3>,1|N<3>}	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]S[5a]H)(H){1|N<3>,2|C<3>}	113.9360	0.496	2	113.9360	0.246	2	114.0810	1.667	102	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(H)	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(H){1|C<3>,1|N<3>}	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]H)(H){1|C<3>,1|H<1>,1|N<3>}	114.0560	0.000	1	114.0560	0.000	1	114.0810	1.667	102	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(H)	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]2)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(H){1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]H){1|H<1>,2|C<3>}	C[5a](C[5a,5a]C[5a,5a]2)(C[5a]S[5a]H)(H){1|S<2>,2|C<3>}	113.5710	0.000	1	113.5710	0.000	1	114.0810	1.667	102	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(H)	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(H){1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]H){1|H<1>,2|C<3>}	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]H)(H){1|C<3>,1|H<1>,1|S<2>}	114.2609	0.757	8	114.2609	0.573	8	114.0810	1.667	102	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a,5a]H)(S[5a]C[5a,5a])(H)	S[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]H)(H)	C[5a](C[5a]N[5a,5a]H)(S[5a]C[5a,5a])(H){1|C<3>,1|N<2>}	S[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H){1|H<1>,2|C<3>}	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	113.0710	0.000	1	113.4816	0.216	10	113.4816	0.216	10	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a,5a]H)(S[5a]C[5a,5a])(H)	S[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]H)(H)	C[5a](C[5a]N[5a,5a]H)(S[5a]C[5a,5a])(H){1|C<3>,1|N<2>}	S[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H){1|H<1>,2|C<3>}	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]H)(H){1|N<2>,2|C<3>}	113.5272	0.468	9	113.4816	0.216	10	113.4816	0.216	10	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(H)	S[5a](C[5a,6]B[5a,6]C[5a,6])(C[5a]C[5a]H)	C[5a](C[5a,6]B[5a,6]C[5a,6])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(H){2|B<4>}	S[5a](C[5a,6]B[5a,6]C[5a,6])(C[5a]C[5a]H){1|B<4>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5a](C[5a,6]B[5a,6]C[5a,6])(C[5a]S[5a]H)(H){1|B<4>,1|C<3>,1|N<3>,1|O<2>}	113.5090	0.000	1	113.5090	0.000	1	112.5864	0.667	76	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(H)	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]H)	C[5a](C[5a,6]C[5a,6]B[6])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(H){1|B<3>,1|C<3>}	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]H){1|B<3>,1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a,6]C[5a,6]B[6])(C[5a]S[5a]H)(H){1|B<3>,1|C<3>,1|N<3>}	111.8405	0.012	2	111.8405	0.000	2	112.5864	0.667	76	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(H)	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]H)	C[5a](C[5a,6]C[5a,6]C[6,6])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(H){1|C<3>,1|C<4>}	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5a](C[5a,6]C[5a,6]C[6,6])(C[5a]S[5a]H)(H){1|C<4>,3|C<3>}	112.4860	0.225	2	112.4860	0.051	2	112.5864	0.667	76	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(H)	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(H){2|C<3>}	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]H)(H){3|C<3>}	113.0695	0.276	2	113.0695	0.076	2	112.5864	0.667	76	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(H)	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]H)	C[5a](C[5a,6]C[5a,6]O[6])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(H){1|C<3>,1|O<2>}	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5a](C[5a,6]C[5a,6]O[6])(C[5a]S[5a]H)(H){1|B<4>,1|C<3>}	113.4640	0.000	1	113.4640	0.000	1	112.5864	0.667	76	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(H)	S[5a](C[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(H){1|B<3>,1|C<3>}	S[5a](C[5a,6]C[5a,6]B[6])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]H)(H){1|B<3>,2|C<3>}	112.3060	0.236	2	112.3060	0.056	2	112.5864	0.667	76	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(H)	S[5a](C[5a,6]C[5a,6]C[6,6])(C[5a]C[5a]H)	C[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(H){2|C<4>}	S[5a](C[5a,6]C[5a,6]C[6,6])(C[5a]C[5a]H){1|H<1>,4|C<4>}	C[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]S[5a]H)(H){1|C<3>,1|H<1>,2|C<4>}	112.1000	0.000	1	112.1000	0.000	1	112.5864	0.667	76	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(H)	S[5a](C[5a,6]C[5a,6]C[6,6])(C[5a]C[5a]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(H){1|C<3>,1|C<4>}	S[5a](C[5a,6]C[5a,6]C[6,6])(C[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]H)(H){1|C<3>,1|C<4>,1|H<1>}	112.1230	0.000	1	112.1230	0.000	1	112.5864	0.667	76	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(H)	S[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)	C[5a](C[5a,6]C[5a,6]C[3x6])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(H){1|C<3>,1|C<4>}	S[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a,6]C[5a,6]C[3x6])(C[5a]S[5a]H)(H){2|C<3>,2|C<4>}	112.5490	0.078	2	112.5490	0.006	2	112.5864	0.667	76	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(H)	S[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(H){1|C<3>,1|C<4>}	S[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]H)(H){1|C<3>,1|N<3>,2|H<1>}	112.5108	0.277	4	112.5108	0.076	4	112.5864	0.667	76	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(H)	S[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)	C[5a](C[5a,6]C[5a,6]N[6])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(H){1|C<3>,1|N<3>}	S[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6]C[5a,6]N[6])(C[5a]S[5a]H)(H){1|C<4>,2|C<3>}	113.4360	0.000	1	113.4360	0.000	1	112.5864	0.667	76	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(H)	S[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)	C[5a](C[5a,6]C[5a,6]O[6])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(H){1|C<3>,1|O<2>}	S[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H){1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a,6]C[5a,6]O[6])(C[5a]S[5a]H)(H){1|C<3>,1|C<4>}	112.5045	0.033	2	112.5045	0.001	2	112.5864	0.667	76	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(H)	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a](C[5a,6]C[5a,6]2)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(H){1|C<3>,1|C<4>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){1|H<1>,1|O<2>,1|P<4>,2|C<3>}	C[5a](C[5a,6]C[5a,6]2)(C[5a]S[5a]H)(H){1|C<4>,2|C<3>}	112.3650	0.000	1	112.8150	0.269	7	112.5864	0.667	76	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(H)	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a](C[5a,6]C[5a,6]2)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(H){1|C<3>,1|C<4>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){1|P<4>,2|C<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]2)(C[5a]S[5a]H)(H){1|C<4>,2|C<3>}	111.8320	0.000	1	112.8150	0.269	7	112.5864	0.667	76	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(H)	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a](C[5a,6]C[5a,6]2)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(H){2|C<3>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){1|H<1>,1|O<1>,2|C<3>}	C[5a](C[5a,6]C[5a,6]2)(C[5a]S[5a]H)(H){3|C<3>}	113.0888	0.105	4	112.8150	0.269	7	112.5864	0.667	76	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(H)	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a](C[5a,6]C[5a,6]2)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(H){2|C<3>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){1|H<1>,1|P<2>,2|C<3>}	C[5a](C[5a,6]C[5a,6]2)(C[5a]S[5a]H)(H){3|C<3>}	113.1530	0.000	1	112.8150	0.269	7	112.5864	0.667	76	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(H)	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(H){2|C<4>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]S[5a]H)(H){1|C<3>,1|N<3>,2|C<4>}	111.9280	0.000	1	111.9280	0.000	1	112.5864	0.667	76	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(H)	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(H){1|C<3>,1|C<4>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]H)(H){1|N<2>,2|C<4>}	112.0020	0.000	1	112.3942	1.410	25	112.5864	0.667	76	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(H)	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(H){1|C<3>,1|C<4>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){1|C<3>,1|N<3>,3|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]H)(H){1|O<1>,2|C<4>}	112.4620	0.000	1	112.3942	1.410	25	112.5864	0.667	76	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(H)	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(H){1|C<3>,1|C<4>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){1|H<1>,1|O<1>,2|C<4>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]H)(H){1|C<3>,1|N<3>,2|H<1>}	112.9230	0.000	1	112.3942	1.410	25	112.5864	0.667	76	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(H)	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(H){2|C<3>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]H)(H){1|H<1>,2|C<3>}	113.6660	0.000	1	112.3942	1.410	25	112.5864	0.667	76	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(H)	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(H){2|C<3>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){1|H<1>,1|O<1>,2|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]H)(H){1|O<1>,2|C<3>}	116.5560	0.000	1	112.3942	1.410	25	112.5864	0.667	76	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(H)	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(H){2|C<3>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]H)(H){1|N<3>,2|C<3>}	113.9935	0.528	2	112.3942	1.410	25	112.5864	0.667	76	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(H)	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(H){2|C<4>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]H)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	111.8795	0.200	2	112.3942	1.410	25	112.5864	0.667	76	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(H)	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(H){2|C<4>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){1|N<3>,2|C<4>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]H)(H){2|C<4>,2|H<1>}	111.6390	0.472	2	112.3942	1.410	25	112.5864	0.667	76	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(H)	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(H){2|C<4>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){2|C<4>,3|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]H)(H){1|C<4>,1|N<3>,2|H<1>}	111.9843	0.649	11	112.3942	1.410	25	112.5864	0.667	76	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(H)	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(H){2|C<4>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){2|C<4>,3|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]H)(H){1|C<4>,1|N<4>,2|H<1>}	111.7650	0.000	1	112.3942	1.410	25	112.5864	0.667	76	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(H)	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(H){2|C<4>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){2|C<4>,3|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]H)(H){1|H<1>,1|N<3>,2|C<4>}	111.7480	0.000	1	112.3942	1.410	25	112.5864	0.667	76	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(H)	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(H){2|C<4>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){2|C<4>,3|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]H)(H){1|H<1>,1|O<2>,2|C<4>}	111.8830	0.000	1	112.3942	1.410	25	112.5864	0.667	76	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(H)	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a](C[5a,6]C[5a,6]N[6,6])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(H){1|C<4>,1|N<3>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){2|N<3>,3|H<1>}	C[5a](C[5a,6]C[5a,6]N[6,6])(C[5a]S[5a]H)(H){3|C<4>}	111.9200	0.000	1	111.9200	0.000	1	112.5864	0.667	76	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(H)	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a](C[5a,6]C[5a,6]S[6])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(H){1|C<3>,1|S<4>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|O<1>,1|S<4>}	C[5a](C[5a,6]C[5a,6]S[6])(C[5a]S[5a]H)(H){1|C<3>,1|N<3>,2|O<1>}	113.2366	0.664	7	113.2075	0.384	8	112.5864	0.667	76	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(H)	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a](C[5a,6]C[5a,6]S[6])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(H){1|C<3>,1|S<4>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|O<2>,1|S<4>}	C[5a](C[5a,6]C[5a,6]S[6])(C[5a]S[5a]H)(H){1|C<3>,1|N<3>,2|O<1>}	113.0040	0.000	1	113.2075	0.384	8	112.5864	0.667	76	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(H)	S[5a](C[5a,6]C[5a,6]P[6])(C[5a]C[5a]H)	C[5a](C[5a,6]C[5a,6]2)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(H){1|C<3>,1|P<2>}	S[5a](C[5a,6]C[5a,6]P[6])(C[5a]C[5a]H){1|H<1>,2|C<3>}	C[5a](C[5a,6]C[5a,6]2)(C[5a]S[5a]H)(H){1|P<2>,2|C<3>}	112.6000	0.000	1	112.7837	0.025	3	112.5864	0.667	76	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(H)	S[5a](C[5a,6]C[5a,6]P[6])(C[5a]C[5a]H)	C[5a](C[5a,6]C[5a,6]2)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(H){1|C<3>,1|P<4>}	S[5a](C[5a,6]C[5a,6]P[6])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5a](C[5a,6]C[5a,6]2)(C[5a]S[5a]H)(H){1|P<4>,2|C<3>}	112.8620	0.000	1	112.7837	0.025	3	112.5864	0.667	76	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(H)	S[5a](C[5a,6]C[5a,6]P[6])(C[5a]C[5a]H)	C[5a](C[5a,6]C[5a,6]2)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(H){1|C<3>,1|P<4>}	S[5a](C[5a,6]C[5a,6]P[6])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|S<1>,2|C<3>}	C[5a](C[5a,6]C[5a,6]2)(C[5a]S[5a]H)(H){1|P<4>,2|C<3>}	112.8890	0.000	1	112.7837	0.025	3	112.5864	0.667	76	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(H)	S[5a](C[5a,6]C[5a,6]S[6])(C[5a]C[5a]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(H){1|C<4>,1|S<4>}	S[5a](C[5a,6]C[5a,6]S[6])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]H)(H){1|C<4>,1|S<4>,2|H<1>}	112.4650	0.312	4	112.4650	0.097	4	112.5864	0.667	76	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(H)	S[5a](C[5a,6]C[5a,6]S[6])(C[5a]C[5a]H)	C[5a](C[5a,6]C[5a,6]N[6])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(H){1|N<3>,1|S<2>}	S[5a](C[5a,6]C[5a,6]S[6])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>}	C[5a](C[5a,6]C[5a,6]N[6])(C[5a]S[5a]H)(H){1|S<2>,2|C<3>}	112.5163	0.463	6	112.5163	0.215	6	112.5864	0.667	76	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H)	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]S[5a]H)(H){3|C<3>}	113.9910	0.030	2	114.6226	4.104	17	113.4859	1.192	141	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H)	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]S[5a]H)(H){3|C<3>}	112.2050	0.894	2	114.6226	4.104	17	113.4859	1.192	141	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H)	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]S[5a]H)(H){1|N<3>,2|C<3>}	113.3570	0.549	2	114.6226	4.104	17	113.4859	1.192	141	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H)	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]S[5a]H)(H){3|C<3>}	112.7425	0.080	2	114.6226	4.104	17	113.4859	1.192	141	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H)	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]S[5a]H)(H){1|S<2>,2|C<3>}	115.9992	1.759	9	114.6226	4.104	17	113.4859	1.192	141	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H)	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]B[6a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H){1|B<3>,1|C<3>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H){1|B<3>,1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a,6a]C[5a,6a]B[6a])(C[5a]S[5a]H)(H){1|N<3>,2|C<3>}	112.2940	0.257	2	112.2940	0.066	2	113.4859	1.192	141	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H)	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a]S[5a]H)(H){1|N<3>,2|C<3>}	113.3422	0.253	10	113.3422	0.064	10	113.4859	1.192	141	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H)	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]H)(H){1|N<2>,2|C<3>}	112.5053	0.789	6	112.3511	0.527	8	113.4859	1.192	141	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H)	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]H)(H){3|C<3>}	111.8885	0.073	2	112.3511	0.527	8	113.4859	1.192	141	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H)	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H){1|C<4>,2|C<3>}	113.1210	0.342	2	113.4017	0.357	15	113.4859	1.192	141	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H)	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H){1|C<4>,2|C<3>}	113.2986	0.278	9	113.4017	0.357	15	113.4859	1.192	141	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H)	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H){1|H<1>,2|C<3>}	113.8843	1.287	3	113.4017	0.357	15	113.4859	1.192	141	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H)	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H){1|H<1>,2|C<3>}	113.4440	0.000	1	113.4017	0.357	15	113.4859	1.192	141	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H)	S[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H){1|C<4>,2|C<3>}	113.4597	0.161	3	113.4597	0.026	3	113.4859	1.192	141	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H)	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]S[5a]H)(H){3|C<3>}	113.4140	0.363	4	112.9467	0.173	25	113.4859	1.192	141	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H)	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]S[5a]H)(H){3|C<3>}	112.8577	0.369	21	112.9467	0.173	25	113.4859	1.192	141	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H)	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]B[6a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H){1|B<3>,1|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H){1|B<3>,1|H<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]B[6a])(C[5a]S[5a]H)(H){1|N<3>,2|C<3>}	112.5653	0.311	7	112.5653	0.097	7	113.4859	1.192	141	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H)	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]H)(H){3|C<3>}	113.6860	1.109	3	113.6860	1.230	3	113.4859	1.192	141	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H)	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H){1|C<3>,1|C<4>,1|N<2>}	113.0310	0.000	1	113.0926	0.167	7	113.4859	1.192	141	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H)	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H){1|H<1>,2|C<3>}	113.1326	0.493	5	113.0926	0.167	7	113.4859	1.192	141	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H)	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H){3|C<3>}	112.9540	0.000	1	113.0926	0.167	7	113.4859	1.192	141	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H)	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]S[5a]H)(H){1|C<3>,1|N<2>}	113.7530	0.000	1	113.7530	0.000	1	113.4859	1.192	141	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]S[5a]H)(H){1|N<3>,2|C<3>}	113.2310	0.016	2	113.7713	0.277	7	113.4859	1.192	141	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]S[5a]H)(H){3|C<3>}	113.9874	0.459	5	113.7713	0.277	7	113.4859	1.192	141	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a]S[5a]H)(H){3|C<3>}	113.5340	0.000	1	113.9090	0.281	2	113.4859	1.192	141	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|Cl<1>,1|H<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a]S[5a]H)(H){3|C<3>}	114.2840	0.000	1	113.9090	0.281	2	113.4859	1.192	141	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]H)(H){3|C<3>}	113.3660	0.000	1	113.0580	0.083	3	113.4859	1.192	141	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]H)(H){1|N<2>,2|C<3>}	112.7960	0.000	1	113.0580	0.083	3	113.4859	1.192	141	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]H)(H){3|C<3>}	113.0120	0.000	1	113.0580	0.083	3	113.4859	1.192	141	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|Br<1>,1|H<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H){3|C<3>}	113.6130	0.266	2	114.0578	0.799	26	113.4859	1.192	141	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<2>,1|H<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H){3|C<3>}	113.7430	0.000	1	114.0578	0.799	26	113.4859	1.192	141	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H){3|C<3>}	114.2520	0.000	1	114.0578	0.799	26	113.4859	1.192	141	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H){1|C<4>,2|C<3>}	113.6040	0.947	4	114.0578	0.799	26	113.4859	1.192	141	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H){1|H<1>,2|C<3>}	113.2390	0.000	1	114.0578	0.799	26	113.4859	1.192	141	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H){3|C<3>}	113.6535	0.145	2	114.0578	0.799	26	113.4859	1.192	141	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H){1|H<1>,2|C<3>}	114.0350	0.000	1	114.0578	0.799	26	113.4859	1.192	141	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H){1|O<2>,2|C<3>}	114.0990	0.000	1	114.0578	0.799	26	113.4859	1.192	141	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H){3|C<3>}	113.5980	0.000	1	114.0578	0.799	26	113.4859	1.192	141	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|Si<4>,1|H<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H){1|Si<4>,2|C<3>}	117.1640	0.000	1	114.0578	0.799	26	113.4859	1.192	141	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H){1|Cl<1>,2|C<3>}	113.7450	0.000	1	114.0578	0.799	26	113.4859	1.192	141	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H){1|H<1>,2|C<3>}	114.3375	0.758	8	114.0578	0.799	26	113.4859	1.192	141	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H){1|I<1>,2|C<3>}	114.3280	0.000	1	114.0578	0.799	26	113.4859	1.192	141	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H){1|N<3>,2|C<3>}	113.6520	0.000	1	114.0578	0.799	26	113.4859	1.192	141	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]S[5a]H)(H){2|C<3>}	113.8125	0.285	2	113.8125	0.081	2	113.4859	1.192	141	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H)	S[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H){1|N<2>,1|N<3>}	S[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a]C[5a]H){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]S[5a]H)(H){1|C<3>,1|N<3>}	113.4400	0.000	1	113.4400	0.000	1	113.4859	1.192	141	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H)	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]H)(H){1|N<2>,2|C<3>}	114.1180	0.000	1	114.1180	0.000	1	113.4859	1.192	141	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H)	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H){1|H<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H){1|N<2>,1|N<3>,1|O<1>}	112.5370	0.000	1	112.5370	0.000	1	113.4859	1.192	141	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:I-1:	C[5a](C[5a]C[5a,6a]I)(S[5a]C[5a,6a])(H)	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(I)	C[5a](C[5a]C[5a,6a]I)(S[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H){1|I<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(I){1|C<3>,1|H<1>,1|N<2>}	112.6440	0.000	1	112.6440	0.000	1	112.6440	0.000	1	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a,6a]H)(S[5a]C[5a,6a])(H)	S[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H)	C[5a](C[5a]N[5a,6a]H)(S[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	S[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]H){1|H<1>,2|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H){1|C<3>,1|N<2>,1|O<1>}	112.1430	0.000	1	112.1430	0.000	1	112.1430	0.000	1	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a]Br)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(Br)	C[5a](C[5a]C[5a]Br)(S[5a]C[5a])(H){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|Br<1>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(Br){1|C<3>}	111.2189	0.495	8	111.2189	0.245	8	110.9186	0.507	16	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a]Br)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(Br)	C[5a](C[5a]C[5a]Br)(S[5a]C[5a])(H){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|Br<1>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(Br){1|C<3>}	110.1662	0.574	4	110.1662	0.329	4	110.9186	0.507	16	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a]Br)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(Br)	C[5a](C[5a]C[5a]Br)(S[5a]C[5a])(H){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){1|Br<1>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(Br){1|C<3>}	110.2890	0.000	1	110.2890	0.000	1	110.9186	0.507	16	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a]Br)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]C[5a]P)	C[5a](C[5a]C[5a]Br)(C[5a]S[5a]H)(Br)	C[5a](C[5a]C[5a]Br)(S[5a]C[5a])(H){1|Br<1>,1|P<4>}	S[5a](C[5a]C[5a]H)(C[5a]C[5a]P){2|Br<1>}	C[5a](C[5a]C[5a]Br)(C[5a]S[5a]H)(Br){1|P<4>}	111.3500	0.000	1	111.3500	0.000	1	110.9186	0.507	16	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a]Br)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]N)(C[5a]S[5a]H)(Br)	C[5a](C[5a]C[5a]Br)(S[5a]C[5a])(H){1|H<1>,1|N<2>}	S[5a](C[5a]C[5a]H)2{1|Br<1>,1|N<2>}	C[5a](C[5a]C[5a]N)(C[5a]S[5a]H)(Br){1|H<1>}	110.6110	0.000	1	110.6110	0.000	1	110.9186	0.507	16	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a]Br)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]S[5a]H)(Br)	C[5a](C[5a]C[5a]Br)(S[5a]C[5a])(H){1|H<1>,1|N<3>}	S[5a](C[5a]C[5a]H)2{1|Br<1>,1|N<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]S[5a]H)(Br){1|H<1>,2|C<3>}	112.0320	0.000	1	112.0320	0.000	1	110.9186	0.507	16	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a](C[5a]C[5a]Cl)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]Cl)(C[5a]S[5a]H)(Cl)	C[5a](C[5a]C[5a]Cl)(S[5a]C[5a])(H){1|Cl<1>,1|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){2|Cl<1>,1|C<3>,1|S<2>}	C[5a](C[5a]C[5a]Cl)(C[5a]S[5a]H)(Cl){1|C<3>}	111.5160	0.000	1	111.5160	0.000	1	111.4510	0.008	2	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a](C[5a]C[5a]Cl)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]Cl)(C[5a]S[5a]H)(Cl)	C[5a](C[5a]C[5a]Cl)(S[5a]C[5a])(H){1|Cl<1>,1|C<3>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|Cl<1>}	C[5a](C[5a]C[5a]Cl)(C[5a]S[5a]H)(Cl){1|C<3>}	111.3860	0.000	1	111.3860	0.000	1	111.4510	0.008	2	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:F-1:	C[5a](C[5a]C[5a]F)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(F)	C[5a](C[5a]C[5a]F)(S[5a]C[5a])(H){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|F<1>,1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(F){1|C<3>}	109.6950	0.000	1	109.6950	0.000	1	109.7400	0.004	2	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:F-1:	C[5a](C[5a]C[5a]F)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(F)	C[5a](C[5a]C[5a]F)(S[5a]C[5a])(H){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<3>,1|F<1>,1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(F){1|C<3>}	109.7850	0.000	1	109.7850	0.000	1	109.7400	0.004	2	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5,5]C[5a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<4>,1|H<1>}	S[5a](C[5a]C[5,5]C[5a])(C[5a]C[5a]H){1|O<2>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|C<4>}	111.5230	0.000	1	111.5230	0.000	1	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]B)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|B<3>,1|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|B<3>,1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]B)(C[5a]S[5a]H)(H){1|C<3>}	111.7800	0.000	1	111.7800	0.000	1	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]Br)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|Br<1>,1|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|Br<1>,1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]Br)(C[5a]S[5a]H)(H){1|C<3>}	112.9290	0.000	1	112.9290	0.000	1	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<2>,1|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<2>,1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H){1|C<3>}	112.4255	0.353	8	111.8887	0.252	23	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<3>,1|C<4>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H){1|C<3>}	111.9540	0.000	1	111.8887	0.252	23	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<3>,1|C<4>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H){1|C<3>}	111.5570	0.230	9	111.8887	0.252	23	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<3>,1|C<4>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H){1|C<3>}	111.8745	0.400	2	111.8887	0.252	23	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){2|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H){1|C<3>}	111.4403	0.311	3	111.8887	0.252	23	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){2|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]H)(H){3|C<3>}	111.8637	0.419	4	111.9454	0.224	22	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){2|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]H)(H){3|C<3>}	112.0664	0.506	14	111.9454	0.224	22	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){2|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]H)(H){3|C<3>}	111.6035	0.229	4	111.9454	0.224	22	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]Ge)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|Ge<4>,1|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|Ge<4>,1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]Ge)(C[5a]S[5a]H)(H){1|C<3>}	111.7825	0.108	2	111.7825	0.012	2	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|C<3>}	112.6248	0.736	9	112.5664	0.865	131	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|C<3>}	112.4093	0.721	20	112.5664	0.865	131	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|O<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|C<3>}	112.4357	0.893	4	112.5664	0.865	131	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|C<3>}	112.6146	0.914	78	112.5664	0.865	131	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|C<3>}	112.9584	1.146	10	112.5664	0.865	131	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|N<2>,1|O<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|C<3>}	111.0920	2.367	2	112.5664	0.865	131	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|N<2>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|C<3>}	112.3673	0.604	3	112.5664	0.865	131	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|C<3>}	112.4172	1.455	4	112.5664	0.865	131	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){2|H<1>,2|N<2>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|C<3>}	112.1670	0.000	1	112.5664	0.865	131	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]Ir)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|Ir<6>,1|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|Ir<6>,1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]Ir)(C[5a]S[5a]H)(H){1|C<3>}	111.3300	0.000	1	111.3300	0.000	1	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]N)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<3>,1|N<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5a](C[5a]C[5a]N)(C[5a]S[5a]H)(H){1|C<3>}	112.4060	0.000	1	112.4060	0.000	1	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]O)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<3>,1|O<2>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5a](C[5a]C[5a]O)(C[5a]S[5a]H)(H){1|C<3>}	112.8470	0.000	1	113.0890	0.164	3	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]O)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<3>,1|O<2>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|O<2>,1|S<2>}	C[5a](C[5a]C[5a]O)(C[5a]S[5a]H)(H){1|C<3>}	113.2100	0.489	2	113.0890	0.164	3	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]P)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<3>,1|P<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|P<3>,1|S<2>}	C[5a](C[5a]C[5a]P)(C[5a]S[5a]H)(H){1|C<3>}	111.8335	0.144	2	111.8335	0.021	2	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]Pd)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|Pd<4>,1|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|Pd<4>,1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]Pd)(C[5a]S[5a]H)(H){1|C<3>}	111.9940	0.000	1	111.9940	0.000	1	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]Ru)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|Ru<6>,1|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|Ru<6>,1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]Ru)(C[5a]S[5a]H)(H){1|C<3>}	111.5170	0.000	1	111.5170	0.000	1	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<3>,1|S<2>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,2|S<2>}	C[5a](C[5a]C[5a]S)(C[5a]S[5a]H)(H){1|C<3>}	112.0804	0.240	5	112.1183	0.046	7	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<3>,1|S<4>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|H<1>,1|N<2>,1|O<2>,1|S<4>}	C[5a](C[5a]C[5a]S)(C[5a]S[5a]H)(H){1|C<3>}	112.2130	0.147	2	112.1183	0.046	7	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]As)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|As<4>,1|H<1>}	S[5a](C[5a]C[5a]As)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|As<4>}	111.9545	0.571	2	111.9545	0.326	2	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]B)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|B<3>,1|C<3>}	S[5a](C[5a]C[5a]B)(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]H)(H){1|B<3>,2|C<3>}	112.2970	0.098	2	112.2970	0.010	2	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]B)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|B<3>,1|H<1>}	S[5a](C[5a]C[5a]B)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|B<3>}	112.2660	0.000	1	111.6500	0.411	4	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]B)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|B<4>,1|H<1>}	S[5a](C[5a]C[5a]B)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|B<4>}	111.4447	0.603	3	111.6500	0.411	4	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]B[5])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|B<3>,1|C<4>}	S[5a](C[5a]C[5a]B[5])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|O<2>}	C[5a](C[5a]C[5a]C[6])(C[5a]S[5a]H)(H){1|B<3>,1|C<3>,1|H<1>,1|N<3>}	111.5990	0.082	2	111.5990	0.007	2	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]B[5])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|B<4>,1|H<1>}	S[5a](C[5a]C[5a]B[5])(C[5a]C[5a]H){1|C<3>,1|N<4>,1|O<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|B<4>}	111.5570	0.291	2	111.5570	0.085	2	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]2)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<2>,1|C<3>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]2)(C[5a]S[5a]H)(H){1|C<2>,1|C<3>,1|S<2>}	112.1003	0.327	4	112.1003	0.107	4	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]B)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|B<3>,1|C<3>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|B<3>,1|H<1>}	C[5a](C[5a]C[5a]B)(C[5a]S[5a]H)(H){1|C<3>}	111.5690	0.000	1	111.5690	0.000	1	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]Br)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|Br<1>,1|C<3>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|Br<1>,1|H<1>}	C[5a](C[5a]C[5a]Br)(C[5a]S[5a]H)(H){1|C<3>}	112.8393	0.633	29	112.8393	0.401	29	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<2>,1|C<3>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<2>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H){1|C<3>}	112.7910	0.559	3	112.3525	0.568	38	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<2>,1|C<4>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H){1|C<2>}	112.3145	0.514	2	112.3525	0.568	38	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<3>,1|C<4>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H){1|C<3>}	112.1467	0.501	23	112.3525	0.568	38	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){2|C<2>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<2>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H){1|C<2>}	112.9933	0.230	3	112.3525	0.568	38	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){2|C<3>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H){1|C<3>}	113.0054	1.425	5	112.3525	0.568	38	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){2|C<4>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H){1|C<4>}	111.5065	0.103	2	112.3525	0.568	38	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<3>,1|C<4>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]H)(H){1|C<3>,2|C<4>}	111.6530	0.000	1	112.0487	0.180	3	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){2|C<4>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]H)(H){1|H<1>,3|C<4>}	112.2465	0.354	2	112.0487	0.180	3	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<3>,1|C<4>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]H)(H){1|C<4>,2|C<3>}	112.5064	0.768	9	112.4712	0.416	13	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){2|C<3>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]H)(H){3|C<3>}	112.3918	0.281	4	112.4712	0.416	13	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]Cl)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|Cl<1>,1|C<3>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|Cl<1>,1|H<1>}	C[5a](C[5a]C[5a]Cl)(C[5a]S[5a]H)(H){1|C<3>}	112.6157	0.241	4	112.6157	0.058	4	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<2>,1|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|C<2>}	113.2390	0.000	1	112.4616	0.616	470	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|C<3>}	112.5788	0.593	370	112.4616	0.616	470	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|C<4>}	112.0159	1.168	99	112.4616	0.616	470	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]Ir)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|Ir<8>,1|C<3>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|Ir<8>,1|H<1>}	C[5a](C[5a]C[5a]Ir)(C[5a]S[5a]H)(H){1|C<3>}	112.5450	0.041	2	112.5450	0.002	2	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]N)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<3>,1|N<3>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]N)(C[5a]S[5a]H)(H){1|C<3>}	113.5192	0.522	5	112.9030	1.291	7	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]N)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<4>,1|N<3>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]N)(C[5a]S[5a]H)(H){1|C<4>}	111.3625	0.110	2	112.9030	1.291	7	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]O)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<3>,1|O<2>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|H<1>,1|O<2>}	C[5a](C[5a]C[5a]O)(C[5a]S[5a]H)(H){1|C<3>}	112.8591	0.840	7	112.5659	0.467	14	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]O)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<4>,1|O<2>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|H<1>,1|O<2>}	C[5a](C[5a]C[5a]O)(C[5a]S[5a]H)(H){1|C<4>}	112.2726	0.326	7	112.5659	0.467	14	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]Pt)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|Pt<4>,1|C<3>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|Pt<4>,1|H<1>}	C[5a](C[5a]C[5a]Pt)(C[5a]S[5a]H)(H){1|C<3>}	113.7284	0.559	5	113.7284	0.313	5	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]Rh)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|Rh<8>,1|C<3>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|Rh<8>,1|H<1>}	C[5a](C[5a]C[5a]Rh)(C[5a]S[5a]H)(H){1|C<3>}	113.2135	0.120	2	113.2135	0.014	2	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]Ru)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|Ru<6>,1|C<3>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|Ru<6>,1|H<1>}	C[5a](C[5a]C[5a]Ru)(C[5a]S[5a]H)(H){1|C<3>}	114.0610	0.000	1	114.0610	0.000	1	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]Se)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|Se<2>,1|C<3>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|Se<2>,1|H<1>}	C[5a](C[5a]C[5a]Se)(C[5a]S[5a]H)(H){1|C<3>}	112.3570	0.000	1	112.2945	0.008	2	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]Se)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|Se<4>,1|C<3>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|Se<4>,1|H<1>}	C[5a](C[5a]C[5a]Se)(C[5a]S[5a]H)(H){1|C<3>}	112.2320	0.000	1	112.2945	0.008	2	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[3])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C[3])(C[5a]C[5a]H){1|O<2>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|C<4>}	112.6010	0.000	1	112.6010	0.000	1	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[4])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C[4])(C[5a]C[5a]H){1|O<2>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|C<4>}	112.8830	0.000	1	112.8830	0.000	1	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<3>,1|C<4>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H){1|C<3>}	112.1820	0.173	2	111.6234	0.579	14	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<3>,1|C<4>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H){1|C<3>}	111.7190	0.000	1	111.6234	0.579	14	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<3>,1|C<4>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|H<1>,1|N<2>,2|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H){1|C<3>}	112.2320	0.000	1	111.6234	0.579	14	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){2|C<4>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H){1|C<4>}	111.0910	0.000	1	111.6234	0.579	14	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){2|C<4>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|N<3>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H){1|C<4>}	111.3122	0.329	5	111.6234	0.579	14	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){2|C<4>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|Ru<7>,1|C<5>,1|H<1>,2|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H){1|C<4>}	111.6900	1.326	4	111.6234	0.579	14	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<3>,1|C<4>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|C<3>}	112.6360	0.646	2	112.4358	0.559	87	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|C<3>}	112.0987	0.641	8	112.4358	0.559	87	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<3>,1|O<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|C<3>}	113.0840	0.000	1	112.4358	0.559	87	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<3>,1|P<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|C<3>}	112.4145	0.844	8	112.4358	0.559	87	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<3>,1|P<4>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|C<3>}	113.0178	0.591	5	112.4358	0.559	87	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|C<3>}	112.7185	0.765	6	112.4358	0.559	87	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<4>,1|N<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|C<3>}	112.4142	0.415	4	112.4358	0.559	87	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|C<3>}	112.0815	0.170	2	112.4358	0.559	87	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|N<2>,1|P<4>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|C<3>}	112.9030	0.000	1	112.4358	0.559	87	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|N<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|C<3>}	113.1550	0.000	1	112.4358	0.559	87	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|Se<2>,1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|C<3>}	111.8930	0.000	1	112.4358	0.559	87	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|Se<2>,1|N<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|C<3>}	112.5765	0.183	2	112.4358	0.559	87	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|C<3>}	112.3459	0.570	14	112.4358	0.559	87	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){2|H<1>,2|N<2>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|C<3>}	112.2170	0.000	1	112.4358	0.559	87	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){2|H<1>,2|N<3>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|C<3>}	112.5605	0.288	2	112.4358	0.559	87	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|C<4>}	112.6010	0.000	1	112.4358	0.559	87	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|C<4>}	113.2785	0.275	2	112.4358	0.559	87	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<3>,1|N<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|C<4>}	115.5210	0.000	1	112.4358	0.559	87	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<4>,1|N<2>,3|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|C<4>}	112.8330	0.000	1	112.4358	0.559	87	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<4>,1|N<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|C<4>}	111.9783	0.396	8	112.4358	0.559	87	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<4>,1|N<4>,3|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|C<4>}	113.3120	0.000	1	112.4358	0.559	87	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<4>,1|O<2>,3|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|C<4>}	112.1484	0.966	5	112.4358	0.559	87	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|C<4>}	112.6320	0.000	1	112.4358	0.559	87	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|O<2>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|C<4>}	112.0100	0.324	2	112.4358	0.559	87	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|Ru<8>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|C<4>}	111.7280	0.000	1	112.4358	0.559	87	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){2|C<4>,3|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|C<4>}	112.3535	1.251	4	112.4358	0.559	87	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){2|N<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|C<4>}	111.5210	0.000	1	112.4358	0.559	87	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){2|O<2>,3|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|C<4>}	112.2380	0.000	1	112.4358	0.559	87	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]O)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<3>,1|O<2>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a]C[5a]O)(C[5a]S[5a]H)(H){1|C<3>}	111.9525	0.325	2	111.9525	0.105	2	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]P)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<3>,1|P<4>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|O<2>,1|P<4>}	C[5a](C[5a]C[5a]P)(C[5a]S[5a]H)(H){1|C<3>}	112.3560	0.000	1	112.3560	0.000	1	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]Au)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|Au<4>,1|C<3>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|Au<4>,1|C<3>,1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]Au)(C[5a]S[5a]H)(H){1|C<3>}	112.1180	0.000	1	112.1180	0.000	1	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|C<4>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|C<3>}	112.6430	0.675	2	112.6040	2.399	49	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|C<3>}	111.9013	0.187	4	112.6040	2.399	49	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|C<3>}	112.6105	0.015	2	112.6040	2.399	49	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|O<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|C<3>}	113.6040	0.894	2	112.6040	2.399	49	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<4>,1|N<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|C<3>}	111.8120	0.000	1	112.6040	2.399	49	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|C<3>}	112.6070	0.000	2	112.6040	2.399	49	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|C<3>}	112.5136	1.488	10	112.6040	2.399	49	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){2|C<4>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|C<3>}	116.3350	0.000	1	112.6040	2.399	49	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){2|H<1>,2|N<2>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|C<3>}	108.5880	0.000	2	112.6040	2.399	49	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|C<4>}	111.7760	0.000	1	112.6040	2.399	49	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|C<4>}	113.3585	0.878	2	112.6040	2.399	49	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|N<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|C<4>}	113.9780	1.172	4	112.6040	2.399	49	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<4>,1|N<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|C<4>}	114.6517	1.668	3	112.6040	2.399	49	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<4>,1|O<2>,3|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|C<4>}	113.0655	1.998	2	112.6040	2.399	49	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|C<4>}	112.2020	0.000	1	112.6040	2.399	49	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|C<4>}	112.2070	0.495	6	112.6040	2.399	49	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){2|C<4>,3|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|C<4>}	111.3000	0.000	1	112.6040	2.399	49	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){2|N<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|C<4>}	111.7890	0.243	3	112.6040	2.399	49	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]Ir)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|Ir<6>,1|C<3>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|Ir<6>,1|C<3>,1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]Ir)(C[5a]S[5a]H)(H){1|C<3>}	112.8855	0.392	12	113.0654	0.292	18	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]Ir)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|Ir<6>,1|C<3>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|Ir<6>,1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a]C[5a]Ir)(C[5a]S[5a]H)(H){1|C<3>}	113.4253	0.649	6	113.0654	0.292	18	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]Pd)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|Pd<4>,1|C<3>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|Pd<4>,1|C<3>,1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]Pd)(C[5a]S[5a]H)(H){1|C<3>}	112.2414	0.091	5	112.2414	0.008	5	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]Pt)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|Pt<4>,1|C<3>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|Pt<4>,1|C<3>,1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]Pt)(C[5a]S[5a]H)(H){1|C<3>}	112.7082	0.312	18	112.7082	0.097	18	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]Re)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|Re<6>,1|C<3>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|Re<6>,1|C<3>,1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]Re)(C[5a]S[5a]H)(H){1|C<3>}	113.5230	0.000	1	113.5230	0.000	1	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]Ru)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|Ru<5>,1|C<3>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|Ru<5>,1|C<3>,1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]Ru)(C[5a]S[5a]H)(H){1|C<3>}	113.9920	0.000	1	113.9920	0.000	1	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<3>,1|C<4>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H){1|C<3>}	111.1540	0.000	1	111.5095	0.264	13	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<3>,1|C<4>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H){1|C<3>}	111.5283	0.602	9	111.5095	0.264	13	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){2|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H){1|C<3>}	111.5717	0.255	3	111.5095	0.264	13	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|C<3>}	112.3009	0.637	42	112.2209	0.499	96	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|C<3>}	112.1586	0.757	54	112.2209	0.499	96	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]Pd)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|Pd<4>,1|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){1|Pd<4>,1|C<3>,1|H<1>,1|N<2>}	C[5a](C[5a]C[5a]Pd)(C[5a]S[5a]H)(H){1|C<3>}	112.7080	0.000	1	112.7080	0.000	1	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]Pt)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|Pt<4>,1|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){1|Pt<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]Pt)(C[5a]S[5a]H)(H){1|C<3>}	111.9500	0.646	4	111.9500	0.417	4	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]Cl)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|Cl<1>,1|C<4>}	S[5a](C[5a]C[5a]Cl)(C[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H){1|Cl<1>}	113.0285	1.111	2	113.0285	1.234	2	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]Fe)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|Fe<7>,1|H<1>}	S[5a](C[5a]C[5a]Fe)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|Fe<7>}	111.0050	0.000	1	111.0050	0.000	1	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]C[5a]I)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<3>,1|I<1>}	S[5a](C[5a]C[5a]H)(C[5a]C[5a]I){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H){1|I<1>}	111.4470	0.109	2	111.4470	0.012	2	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]C[5a]I)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|H<1>,1|I<2>}	S[5a](C[5a]C[5a]H)(C[5a]C[5a]I){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|I<2>}	110.9550	0.000	1	110.9550	0.000	1	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]C[5a]I)	C[5a](C[5a]C[5a]N[5a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|I<1>,1|N<3>}	S[5a](C[5a]C[5a]H)(C[5a]C[5a]I){1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]S[5a]H)(H){1|C<3>,1|I<1>,1|N<2>}	114.0530	0.000	1	114.0530	0.000	1	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<2>,1|N<2>}	S[5a](C[5a]C[5a]H)(C[5a]C[5a]N){1|C<2>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H){1|N<2>}	112.6660	0.294	2	112.5690	0.334	9	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<3>,1|N<3>}	S[5a](C[5a]C[5a]H)(C[5a]C[5a]N){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H){1|N<3>}	112.4267	0.635	6	112.5690	0.334	9	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<4>,1|N<3>}	S[5a](C[5a]C[5a]H)(C[5a]C[5a]N){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H){1|N<3>}	113.2290	0.000	1	112.5690	0.334	9	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|H<1>,1|N<3>}	S[5a](C[5a]C[5a]H)(C[5a]C[5a]N){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|N<3>}	112.2665	0.107	2	112.2665	0.011	2	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]C[5a]O)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|H<1>,1|O<2>}	S[5a](C[5a]C[5a]H)(C[5a]C[5a]O){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|O<2>}	112.1110	0.000	1	112.1110	0.000	1	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]C[5a]P)	C[5a](C[5a]C[5a]Br)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|Br<1>,1|P<4>}	S[5a](C[5a]C[5a]H)(C[5a]C[5a]P){1|Br<1>,1|H<1>}	C[5a](C[5a]C[5a]Br)(C[5a]S[5a]H)(H){1|P<4>}	113.0160	0.000	1	113.0160	0.000	1	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]C[5a]P)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|H<1>,1|P<3>}	S[5a](C[5a]C[5a]H)(C[5a]C[5a]P){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|P<3>}	114.3740	0.783	2	112.9162	1.586	15	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]C[5a]P)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|H<1>,1|P<4>}	S[5a](C[5a]C[5a]H)(C[5a]C[5a]P){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|P<4>}	112.6919	1.179	13	112.9162	1.586	15	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]C[5a]P)	C[5a](C[5a]C[5a]N)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|N<3>,1|P<3>}	S[5a](C[5a]C[5a]H)(C[5a]C[5a]P){1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]N)(C[5a]S[5a]H)(H){1|P<3>}	112.5465	0.183	2	112.5465	0.034	2	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]C[5a]S)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<3>,1|S<2>}	S[5a](C[5a]C[5a]H)(C[5a]C[5a]S){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H){1|S<2>}	112.0355	0.411	2	112.0355	0.169	2	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]C[5a]S)	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<4>,1|S<2>}	S[5a](C[5a]C[5a]H)(C[5a]C[5a]S){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]H)(H){1|C<3>,1|S<2>,2|C<4>}	112.7050	0.564	2	113.1840	0.848	3	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]C[5a]S)	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<4>,1|S<2>}	S[5a](C[5a]C[5a]H)(C[5a]C[5a]S){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]H)(H){1|C<4>,1|S<2>,2|C<3>}	114.1420	0.000	1	113.1840	0.848	3	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]C[5a]S)	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<3>,1|S<2>}	S[5a](C[5a]C[5a]H)(C[5a]C[5a]S){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]H)(H){1|S<2>,2|C<3>}	111.9575	0.276	2	112.1478	0.115	4	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]C[5a]S)	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<3>,1|S<3>}	S[5a](C[5a]C[5a]H)(C[5a]C[5a]S){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]H)(H){1|S<3>,2|C<3>}	112.3380	0.354	2	112.1478	0.115	4	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]C[5a]S)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|H<1>,1|S<2>}	S[5a](C[5a]C[5a]H)(C[5a]C[5a]S){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|S<2>}	112.4185	1.135	4	112.6313	0.904	6	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]C[5a]S)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|H<1>,1|S<4>}	S[5a](C[5a]C[5a]H)(C[5a]C[5a]S){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|S<4>}	113.0570	0.339	2	112.6313	0.904	6	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]C[5a]S)	C[5a](C[5a]C[6,6]C[5a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<4>,1|S<2>}	S[5a](C[5a]C[5a]H)(C[5a]C[5a]S){1|C<4>,1|H<1>}	C[5a](C[5a]C[6,6]C[5a])(C[5a]S[5a]H)(H){1|C<3>,1|S<2>,2|C<4>}	112.1980	0.000	1	112.1980	0.000	1	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]2)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]H)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]2)(C[5a]S[5a]H)(H){1|C<3>,1|H<1>,1|N<3>}	106.3695	1.935	2	108.3536	3.863	7	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]2)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]H)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]2)(C[5a]S[5a]H)(H){1|C<3>,1|H<1>,1|S<2>}	109.1472	1.450	5	108.3536	3.863	7	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]B[6])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|B<4>,1|H<1>}	S[5a](C[5a]C[5a]H)2{1|B<4>,1|H<1>}	C[5a](C[5a]C[5a]B[6])(C[5a]S[5a]H)(H){1|C<3>,1|H<1>,2|N<3>}	106.5680	2.749	2	106.5680	7.558	2	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<2>,1|H<1>}	S[5a](C[5a]C[5a]H)2{1|C<2>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H){1|H<1>}	109.4847	1.570	3	110.2067	2.943	51	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]H)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H){1|H<1>}	110.2595	1.880	38	110.2067	2.943	51	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]H)2{1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H){1|H<1>}	110.2230	1.039	10	110.2067	2.943	51	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]C[4])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]H)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[4])(C[5a]S[5a]H)(H){1|C<3>,1|C<4>,1|H<1>}	110.6040	0.000	1	111.0360	0.373	2	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]C[4])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]H)2{1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C[4])(C[5a]S[5a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	111.4680	0.000	1	111.0360	0.373	2	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]H)2{1|C<3>,1|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>}	109.4560	2.971	2	110.7333	3.349	6	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]H)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]H)(H){1|H<1>,2|N<3>}	111.3570	0.000	1	110.7333	3.349	6	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]H)2{1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]H)(H){1|C<3>,1|C<4>,2|H<1>}	112.0390	0.000	1	110.7333	3.349	6	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]H)2{1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]H)(H){1|C<3>,1|O<2>,2|H<1>}	112.1330	0.000	1	110.7333	3.349	6	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]H)2{1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]H)(H){1|H<1>,3|C<4>}	109.9590	0.000	1	110.7333	3.349	6	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]C[6])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]H)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[6])(C[5a]S[5a]H)(H){1|C<3>,1|H<1>,1|O<2>}	106.5710	4.087	2	109.6400	6.747	12	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]C[6])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]H)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[6])(C[5a]S[5a]H)(H){1|H<1>,1|N<2>,1|O<2>}	112.4770	0.478	2	109.6400	6.747	12	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]C[6])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]H)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[6])(C[5a]S[5a]H)(H){1|H<1>,2|C<3>}	107.7190	0.072	2	109.6400	6.747	12	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]C[6])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]H)2{1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C[6])(C[5a]S[5a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	111.6830	0.000	1	109.6400	6.747	12	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]C[6])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]H)2{1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C[6])(C[5a]S[5a]H)(H){1|C<4>,1|N<3>,2|H<1>}	110.7470	0.000	1	109.6400	6.747	12	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]C[6])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]H)2{1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C[6])(C[5a]S[5a]H)(H){2|C<3>,2|H<1>}	108.8780	0.000	1	109.6400	6.747	12	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]C[6])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]H)2{1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C[6])(C[5a]S[5a]H)(H){2|C<4>,2|H<1>}	110.2793	1.969	3	109.6400	6.747	12	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]H)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	110.8430	0.670	2	109.4386	3.129	8	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]H)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]H)(H){1|H<1>,2|C<3>}	109.4015	2.033	4	109.4386	3.129	8	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]H)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]H)(H){1|H<1>,2|N<2>}	108.1085	1.252	2	109.4386	3.129	8	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|H<1>,1|N<3>}	S[5a](C[5a]C[5a]H)2{1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]S[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	111.0825	0.383	2	111.0825	0.146	2	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]O)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|H<1>,1|O<2>}	S[5a](C[5a]C[5a]H)2{1|H<1>,1|O<2>}	C[5a](C[5a]C[5a]O)(C[5a]S[5a]H)(H){1|H<1>}	111.9530	0.342	3	111.9530	0.117	3	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]S)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|H<1>,1|S<2>}	S[5a](C[5a]C[5a]H)2{1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]S)(C[5a]S[5a]H)(H){1|H<1>}	108.2440	0.000	1	108.2440	0.000	1	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]N[5])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]Ru)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|Ru<9>,1|N<3>}	S[5a](C[5a]C[5a]N[5])(C[5a]C[5a]H){1|Ru<9>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]Ru)(C[5a]S[5a]H)(H){1|N<3>}	112.2907	0.156	3	112.2907	0.024	3	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<3>,1|N<3>}	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H){1|N<3>}	112.3860	0.000	1	112.3860	0.000	1	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|H<1>,1|N<3>}	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|N<3>}	112.0310	0.000	1	113.6710	2.069	4	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|H<1>,1|N<3>}	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|N<3>}	114.2177	1.145	3	113.6710	2.069	4	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]P[3])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|H<1>,1|P<4>}	S[5a](C[5a]C[5a]P[3])(C[5a]C[5a]H){1|W<6>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|P<4>}	112.2100	0.622	2	112.2100	0.387	2	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]P[5])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|H<1>,1|P<4>}	S[5a](C[5a]C[5a]P[5])(C[5a]C[5a]H){1|O<1>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|P<4>}	111.8720	0.000	1	111.8720	0.000	1	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]Pd)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|Pd<4>,1|C<3>}	S[5a](C[5a]C[5a]Pd)(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H){1|Pd<4>}	110.2355	0.175	2	110.2355	0.031	2	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]Ru)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|Ru<9>,1|N<3>}	S[5a](C[5a]C[5a]Ru)(C[5a]C[5a]H){1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]N[5])(C[5a]S[5a]H)(H){1|Ru<9>,2|C<3>}	111.8550	0.000	1	111.8550	0.000	1	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]Se)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|Se<2>,1|C<3>}	S[5a](C[5a]C[5a]Se)(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H){1|Se<2>}	111.6400	0.000	1	111.6400	0.000	1	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]Se)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|Se<2>,1|H<1>}	S[5a](C[5a]C[5a]Se)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|Se<2>}	112.1105	1.216	2	112.1105	1.477	2	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]H)	C[5a](C[5a]B[5,5]C[5a])(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|Si<4>,1|B<4>}	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]H){1|B<4>,1|H<1>}	C[5a](C[5a]B[5,5]C[5a])(C[5a]S[5a]H)(H){1|Si<4>,1|N<4>,2|O<2>}	110.8150	0.000	1	110.8150	0.000	1	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|Si<3>,1|H<1>}	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|Si<3>}	111.4560	0.000	1	111.4560	0.000	1	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[6,6]C[5a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(H){1|C<4>,1|H<1>}	S[5a](C[5a]C[6,6]C[5a])(C[5a]C[5a]H){1|C<4>,2|H<1>,2|O<2>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(H){1|C<4>}	112.3030	0.000	1	112.3030	0.000	1	112.2500	1.371	1284	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]N[5a]O)	C[5a](C[5a]S[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(H){1|C<4>,1|O<1>}	S[5a](C[5a]C[5a]H)(C[5a]N[5a]O){1|C<4>,1|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a]C)(H){1|O<1>}	111.1340	0.000	1	111.1340	0.000	1	111.1340	0.000	1	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:O-1:	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]N[5a]S)	C[5a](C[5a]S[5a]H)(N[5a]C[5a]N)(O)	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(H){1|N<2>,1|S<1>}	S[5a](C[5a]C[5a]H)(C[5a]N[5a]S){1|N<2>,1|O<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a]N)(O){1|S<1>}	107.4700	0.000	1	107.4700	0.000	1	107.4700	0.000	1	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:I-1:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(I)	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]I)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]I)(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(I){1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]I){1|C<3>,1|H<1>,2|S<2>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]I)(H){2|C<3>}	114.5960	0.477	2	114.5960	0.227	2	114.5960	0.227	2	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:I-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(I)	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]I)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]I)(H)	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(I){2|C<3>}	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]I){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]I)(H){1|O<1>,2|C<3>}	111.9985	4.612	2	111.9985	21.275	2	112.9137	8.209	4	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:I-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(I)	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]I)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]I)(H)	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(I){2|C<3>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]I){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]I)(H){1|H<1>,2|C<3>}	113.8200	0.000	1	113.8290	0.000	2	112.9137	8.209	4	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:I-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(I)	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]I)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]I)(H)	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(I){2|C<3>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]I){1|H<1>,1|O<1>,2|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]I)(H){1|O<1>,2|C<3>}	113.8380	0.000	1	113.8290	0.000	2	112.9137	8.209	4	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:I-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(I)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]I)	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]S[5a]I)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(I){1|C<3>,1|N<2>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]I){1|Cl<1>,1|H<1>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]S[5a]I)(H){2|C<3>}	114.9860	0.000	1	114.9860	0.000	1	114.9860	0.000	1	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:I-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(I)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]I)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]I)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(I){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]I){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]I)(H){1|C<3>}	113.2115	0.849	2	113.2115	0.721	2	112.5527	2.108	16	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:I-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(I)	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]I)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]I)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(I){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]I){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]I)(H){1|C<3>}	111.8560	0.000	1	111.8560	0.000	1	112.5527	2.108	16	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:I-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(I)	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]I)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]I)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(I){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]I){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]I)(H){1|C<3>}	112.3080	0.000	1	112.1942	5.180	6	112.5527	2.108	16	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:I-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(I)	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]I)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]I)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(I){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]I){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]I)(H){1|C<3>}	112.1714	2.544	5	112.1942	5.180	6	112.5527	2.108	16	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:I-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(I)	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]I)	C[5a](C[5a]C[5a]I)(C[5a]S[5a]I)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(I){1|C<3>,1|I<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]I){1|C<3>,1|H<1>,1|I<1>,1|N<2>}	C[5a](C[5a]C[5a]I)(C[5a]S[5a]I)(H){1|C<3>}	113.3040	0.000	1	113.3040	0.000	1	112.5527	2.108	16	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:I-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(I)	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]I)	C[5a](C[5a]C[5a]N)(C[5a]S[5a]I)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(I){1|C<3>,1|N<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]I){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]N)(C[5a]S[5a]I)(H){1|C<3>}	112.5745	0.523	2	112.5745	0.273	2	112.5527	2.108	16	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:I-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(I)	S[5a](C[5a]C[5a]I)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]I)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(I){1|H<1>,1|N<3>}	S[5a](C[5a]C[5a]I)(C[5a]C[5a]N){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]I)(H){1|N<3>}	113.2400	0.000	1	113.2400	0.000	1	112.5527	2.108	16	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:I-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(I)	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]I)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]I)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(I){1|H<1>,1|N<3>}	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]I){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]I)(H){1|N<3>}	112.5687	0.885	3	112.5687	0.784	3	112.5527	2.108	16	112.6432	1.620	2052	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a]S)(S[5a]C[5a])(Br)	S[5a](C[5a]C[5a]Br)2	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]S)(SC)	C[5a](C[5a]C[5a]S)(S[5a]C[5a])(Br){1|Br<1>,1|S<2>}	S[5a](C[5a]C[5a]Br)2{2|S<2>}	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]S)(SC){1|Br<1>}	113.4258	0.178	4	113.4258	0.032	4	113.4258	0.032	4	111.8037	3.857	159	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(Br)	S[5a](C[5a]C[5a]Br)(C[5a]N[5a]N)	C[5a](C[5a]S[5a]Br)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(Br){1|N<2>,2|C<3>}	S[5a](C[5a]C[5a]Br)(C[5a]N[5a]N){1|C<3>}	C[5a](C[5a]S[5a]Br)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	111.4210	0.000	1	111.4210	0.000	1	112.1310	0.755	4	111.8037	3.857	159	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(Br)	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]Br)	C[5a](C[5a]S[5a]Br)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(Br){3|C<3>}	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]Br){1|C<3>,1|N<2>,1|S<2>}	C[5a](C[5a]S[5a]Br)(C[6a]C[6a]2)(N[5a]C[5a]){2|F<1>,3|C<3>}	111.4820	0.000	1	111.4820	0.000	1	112.1310	0.755	4	111.8037	3.857	159	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(Br)	S[5a](C[5a]N[5a]N[5])(C[5a]C[5a]Br)	C[5a](C[5a]S[5a]Br)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(Br){1|N<3>,2|C<3>}	S[5a](C[5a]N[5a]N[5])(C[5a]C[5a]Br){1|C<4>,2|C<3>}	C[5a](C[5a]S[5a]Br)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	112.8105	0.644	2	112.8105	0.415	2	112.1310	0.755	4	111.8037	3.857	159	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a]S)(S[5a]C[5a])(Cl)	S[5a](C[5a]C[5a]Cl)2	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]S)(SCl)	C[5a](C[5a]C[5a]S)(S[5a]C[5a])(Cl){1|Cl<1>,1|S<2>}	S[5a](C[5a]C[5a]Cl)2{2|S<2>}	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]S)(SCl){1|Cl<1>}	113.1025	0.214	2	113.1025	0.046	2	113.1025	0.046	2	111.8037	3.857	159	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:H-1:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a,5a]S)(S[5a]C[5a,5a])(H)	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]2)(C[5a]S[5a]H)(SC[5a])	C[5a](C[5a]C[5a,5a]S)(S[5a]C[5a,5a])(H){1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]H){1|S<2>,2|C<3>}	C[5a](C[5a,5a]C[5a,5a]2)(C[5a]S[5a]H)(SC[5a]){1|S<2>,2|C<3>}	113.1255	0.186	2	113.1255	0.035	2	113.1255	0.035	2	111.8037	3.857	159	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a,6a]S)(S[5a]C[5a,6a])(H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(SC)	C[5a](C[5a]C[5a,6a]S)(S[5a]C[5a,6a])(H){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(SC){1|H<1>,2|C<3>}	113.7500	0.117	2	113.7500	0.014	2	113.6253	0.054	3	111.8037	3.857	159	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a,6a]S)(S[5a]C[5a,6a])(H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(SC[5a])	C[5a](C[5a]C[5a,6a]S)(S[5a]C[5a,6a])(H){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(SC[5a]){1|H<1>,2|C<3>}	113.3760	0.000	1	113.3760	0.000	1	113.6253	0.054	3	111.8037	3.857	159	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:Se-2:	C[5a](C[5a]C[5a,6a]Se)(S[5a]C[5a,6a])(H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(SeC)	C[5a](C[5a]C[5a,6a]Se)(S[5a]C[5a,6a])(H){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|Se<2>,1|H<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(SeC){1|H<1>,2|C<3>}	113.6150	0.000	1	113.6150	0.000	1	113.6150	0.000	1	111.8037	3.857	159	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]C[5])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]N[5a]N)	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){1|C<3>,2|N<3>}	S[5a](C[5a]C[5a]H)(C[5a]N[5a]N){1|C<3>}	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>}	110.0460	0.156	2	110.0460	0.024	2	110.0460	0.024	2	111.8037	3.857	159	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]S[5a]C[5])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]S[5a]O)	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){1|C<3>,1|O<1>,1|S<2>}	S[5a](C[5a]C[5a]H)(C[5a]S[5a]O){1|C<3>}	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>}	118.5020	0.122	2	118.5020	0.015	2	118.5020	0.015	2	111.8037	3.857	159	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]O)(C[5a]S[5a]H)(CN)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H){1|C<3>,1|O<2>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<2>,1|C<3>,1|O<2>,1|S<2>}	C[5a](C[5a]C[5a]O)(C[5a]S[5a]H)(CN){1|C<3>}	113.4530	0.000	1	113.4530	0.000	1	112.1554	0.545	5	111.8037	3.857	159	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(CC)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]H)2{1|C<2>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(CC){1|H<1>}	112.0410	0.000	1	112.0410	0.000	1	112.1554	0.545	5	111.8037	3.857	159	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CC)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H){2|H<1>}	S[5a](C[5a]C[5a]H)2{1|C<2>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CC){1|H<1>}	111.7610	0.086	3	111.7610	0.007	3	112.1554	0.545	5	111.8037	3.857	159	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N-2:	C[5a](C[5a]C[5a]N)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]Br)(C[5a]S[5a]H)(NC[6a])	C[5a](C[5a]C[5a]N)(S[5a]C[5a])(H){1|Br<1>,1|H<1>}	S[5a](C[5a]C[5a]H)2{1|Br<1>,1|N<2>}	C[5a](C[5a]C[5a]Br)(C[5a]S[5a]H)(NC[6a]){1|H<1>}	112.2680	0.000	1	112.2680	0.000	1	112.2680	0.000	1	111.8037	3.857	159	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]N[5a])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]2)(C[5a]S[5a]H)(N[5a]C[5a])	C[5a](C[5a]C[5a]N[5a])(S[5a]C[5a])(H){1|H<1>,1|N<2>,1|N<3>}	S[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>}	C[5a](C[5a]N[5a]2)(C[5a]S[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	110.3950	0.000	1	110.3950	0.000	1	110.7248	0.616	13	111.8037	3.857	159	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]N[5a])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]N[5a]N)	C[5a](C[5a]C[5a]N[5a])(C[5a]S[5a]H)(N[5a]C[5a])	C[5a](C[5a]C[5a]N[5a])(S[5a]C[5a])(H){1|C<3>,1|N<2>,1|N<3>}	S[5a](C[5a]C[5a]H)(C[5a]N[5a]N){1|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]S[5a]H)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	111.0470	0.604	4	110.9680	0.305	5	110.7248	0.616	13	111.8037	3.857	159	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]N[5a])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]N[5a]N)	C[5a](C[5a]C[5a]N[5a])(C[5a]S[5a]H)(N[5a]C[5a])	C[5a](C[5a]C[5a]N[5a])(S[5a]C[5a])(H){1|C<3>,2|N<3>}	S[5a](C[5a]C[5a]H)(C[5a]N[5a]N){1|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]S[5a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	110.6520	0.000	1	110.9680	0.305	5	110.7248	0.616	13	111.8037	3.857	159	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]N[5a])(S[5a]C[5a])(H)	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]S[5a]H)(N[5a]C[5a])	C[5a](C[5a]C[5a]N[5a])(S[5a]C[5a])(H){1|S<2>,2|C<3>}	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H){3|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]S[5a]H)(N[5a]C[5a]){4|C<3>}	110.8787	1.235	3	110.8787	1.525	3	110.7248	0.616	13	111.8037	3.857	159	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]N[5a])(S[5a]C[5a])(H)	S[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]S[5a]H)(N[5a]C[5a])	C[5a](C[5a]C[5a]N[5a])(S[5a]C[5a])(H){1|C<3>,1|C<4>,1|S<2>}	S[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|H<1>,2|C<4>}	C[5a](C[5a]C[5a]S[5a])(C[5a]S[5a]H)(N[5a]C[5a]){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>}	109.6700	0.339	2	109.6700	0.115	2	110.7248	0.616	13	111.8037	3.857	159	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]N[5a])(S[5a]C[5a])(H)	S[5a](C[5a]N[5a]N[5])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]S[5a]H)(N[5a]C[5a])	C[5a](C[5a]C[5a]N[5a])(S[5a]C[5a])(H){1|C<3>,1|N<2>,1|N<3>}	S[5a](C[5a]N[5a]N[5])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|N<2>}	C[5a](C[5a]C[5a]N[5a])(C[5a]S[5a]H)(N[5a]C[5a]){1|C<4>,1|N<2>,2|N<3>}	111.1970	0.000	1	111.1970	0.000	1	110.7248	0.616	13	111.8037	3.857	159	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]N[5a])(S[5a]C[5a])(H)	S[5a](C[5a]N[5a]N[5])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]O[5a])(C[5a]S[5a]H)(N[5a]C[5a])	C[5a](C[5a]C[5a]N[5a])(S[5a]C[5a])(H){1|C<3>,1|N<3>,1|O<2>}	S[5a](C[5a]N[5a]N[5])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|N<2>}	C[5a](C[5a]C[5a]O[5a])(C[5a]S[5a]H)(N[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	111.0140	0.000	1	111.0140	0.000	1	110.7248	0.616	13	111.8037	3.857	159	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[5a]O)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(OC)	C[5a](C[5a]C[5a]O)(S[5a]C[5a])(H){1|C<2>,1|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<2>,1|C<3>,1|O<2>,1|S<2>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(OC){1|C<3>}	111.5474	0.392	5	111.5474	0.154	5	111.3175	0.306	14	111.8037	3.857	159	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[5a]O)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(OH)	C[5a](C[5a]C[5a]O)(S[5a]C[5a])(H){1|C<2>,1|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|H<1>,1|O<2>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(OH){1|C<2>}	111.8090	0.000	1	111.8090	0.000	1	111.3175	0.306	14	111.8037	3.857	159	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[5a]O)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]O)(C[5a]S[5a]H)(OC)	C[5a](C[5a]C[5a]O)(S[5a]C[5a])(H){1|C<4>,1|O<2>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|O<2>}	C[5a](C[5a]C[5a]O)(C[5a]S[5a]H)(OC){1|C<4>}	110.7470	0.000	1	110.7470	0.000	1	111.3175	0.306	14	111.8037	3.857	159	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[5a]O)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(OC)	C[5a](C[5a]C[5a]O)(S[5a]C[5a])(H){2|H<1>}	S[5a](C[5a]C[5a]H)2{1|H<1>,1|O<2>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(OC){1|H<1>}	110.5627	0.121	3	110.5627	0.015	3	111.3175	0.306	14	111.8037	3.857	159	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[5a]O)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]O)(C[5a]S[5a]H)(OC)	C[5a](C[5a]C[5a]O)(S[5a]C[5a])(H){1|H<1>,1|O<2>}	S[5a](C[5a]C[5a]H)2{2|O<2>}	C[5a](C[5a]C[5a]O)(C[5a]S[5a]H)(OC){1|H<1>}	111.6160	0.380	4	111.6160	0.145	4	111.3175	0.306	14	111.8037	3.857	159	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a]S)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(SC[5a])	C[5a](C[5a]C[5a]S)(S[5a]C[5a])(H){2|H<1>}	S[5a](C[5a]C[5a]H)2{1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(SC[5a]){1|H<1>}	112.2460	0.000	1	112.2460	0.000	1	112.1740	0.155	5	111.8037	3.857	159	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a]S)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]S)(C[5a]S[5a]H)(SC)	C[5a](C[5a]C[5a]S)(S[5a]C[5a])(H){1|H<1>,1|S<2>}	S[5a](C[5a]C[5a]H)2{2|S<2>}	C[5a](C[5a]C[5a]S)(C[5a]S[5a]H)(SC){1|H<1>}	112.1560	0.453	4	112.1560	0.205	4	112.1740	0.155	5	111.8037	3.857	159	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]S[5a]O)	C[5a](C[5a]C[5a]S[5a])(C[5a]S[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(S[5a]C[5a])(H){1|C<3>,1|O<1>,1|S<2>}	S[5a](C[5a]C[5a]H)(C[5a]S[5a]O){1|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]S[5a]H)(S[5a]C[5a]){1|C<3>,1|H<1>,1|O<1>,1|S<2>}	127.5420	0.000	1	127.5420	0.000	1	127.5420	0.000	1	111.8037	3.857	159	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]N[5a]2)	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H){1|N<3>,2|C<3>}	S[5a](C[5a]C[5a]H)(C[5a]N[5a]2){1|N<2>,2|C<3>}	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	111.3755	0.131	2	111.0343	0.164	4	111.1956	0.168	84	111.8037	3.857	159	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]N[5a]2)	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H){1|N<3>,2|C<3>}	S[5a](C[5a]C[5a]H)(C[5a]N[5a]2){3|C<3>}	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	110.6930	0.100	2	111.0343	0.164	4	111.1956	0.168	84	111.8037	3.857	159	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H){1|C<4>,2|C<3>}	S[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<3>}	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	110.9070	0.693	2	110.8900	0.190	4	111.1956	0.168	84	111.8037	3.857	159	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H){1|C<4>,2|C<3>}	S[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<3>}	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	110.6630	0.000	1	110.8900	0.190	4	111.1956	0.168	84	111.8037	3.857	159	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H){3|C<3>}	S[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<3>}	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	111.0830	0.000	1	110.8900	0.190	4	111.1956	0.168	84	111.8037	3.857	159	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]N[5a]N)	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H){1|N<2>,2|C<3>}	S[5a](C[5a]C[5a]H)(C[5a]N[5a]N){1|C<3>}	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	111.0290	0.000	1	111.1976	0.138	45	111.1956	0.168	84	111.8037	3.857	159	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]N[5a]N)	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H){1|N<2>,2|C<3>}	S[5a](C[5a]C[5a]H)(C[5a]N[5a]N){1|C<3>}	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	111.5147	0.183	3	111.1976	0.138	45	111.1956	0.168	84	111.8037	3.857	159	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]N[5a]N)	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H){1|N<3>,2|C<3>}	S[5a](C[5a]C[5a]H)(C[5a]N[5a]N){1|C<3>}	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	110.8624	0.278	14	111.1976	0.138	45	111.1956	0.168	84	111.8037	3.857	159	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]N[5a]N)	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H){1|N<3>,2|C<3>}	S[5a](C[5a]C[5a]H)(C[5a]N[5a]N){1|C<3>}	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	111.0110	0.000	1	111.1976	0.138	45	111.1956	0.168	84	111.8037	3.857	159	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]N[5a]N)	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H){1|N<3>,2|C<3>}	S[5a](C[5a]C[5a]H)(C[5a]N[5a]N){1|C<3>}	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	111.7290	0.000	1	111.1976	0.138	45	111.1956	0.168	84	111.8037	3.857	159	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]N[5a]N)	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H){1|N<3>,2|C<3>}	S[5a](C[5a]C[5a]H)(C[5a]N[5a]N){1|C<3>}	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	111.3402	0.307	25	111.1976	0.138	45	111.1956	0.168	84	111.8037	3.857	159	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]N[5a]S)	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H){1|S<2>,2|C<3>}	S[5a](C[5a]C[5a]H)(C[5a]N[5a]S){1|C<3>}	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	110.8470	0.000	1	110.8470	0.000	1	111.1956	0.168	84	111.8037	3.857	159	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H){3|C<3>}	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H){1|C<3>,1|N<2>,1|S<2>}	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|F<1>,3|C<3>}	110.8250	0.000	1	110.9865	0.037	4	111.1956	0.168	84	111.8037	3.857	159	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H){3|C<3>}	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H){1|C<3>,1|N<2>,1|S<2>}	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	111.1210	0.000	1	110.9865	0.037	4	111.1956	0.168	84	111.8037	3.857	159	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H){3|C<3>}	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H){1|N<2>,2|C<3>}	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	111.0000	0.257	2	110.9865	0.037	4	111.1956	0.168	84	111.8037	3.857	159	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H)	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H){3|C<3>}	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H){3|C<3>}	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|O<2>,3|C<3>}	110.4780	0.000	1	111.0614	0.245	5	111.1956	0.168	84	111.8037	3.857	159	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H)	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H){3|C<3>}	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H){3|C<3>}	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	111.2073	0.429	4	111.0614	0.245	5	111.1956	0.168	84	111.8037	3.857	159	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H)	S[5a](C[5a]N[5a]Br)(C[5a]C[5a]H)	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H){1|Br<1>,2|C<3>}	S[5a](C[5a]N[5a]Br)(C[5a]C[5a]H){1|C<3>}	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|Br<1>,2|C<3>,2|H<1>}	110.8960	0.000	1	110.8960	0.000	1	111.1956	0.168	84	111.8037	3.857	159	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H)	S[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H){1|C<4>,2|C<3>}	S[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	111.0150	0.505	2	111.0150	0.255	2	111.1956	0.168	84	111.8037	3.857	159	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H)	S[5a](C[5a]N[5a]N[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H){1|N<3>,2|C<3>}	S[5a](C[5a]N[5a]N[5])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|N<2>}	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	111.3808	0.643	4	111.4212	0.210	17	111.1956	0.168	84	111.8037	3.857	159	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H)	S[5a](C[5a]N[5a]N[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H){1|N<3>,2|C<3>}	S[5a](C[5a]N[5a]N[5])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|N<2>}	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	111.3093	0.394	10	111.4212	0.210	17	111.1956	0.168	84	111.8037	3.857	159	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H)	S[5a](C[5a]N[5a]N[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H){1|N<3>,2|C<3>}	S[5a](C[5a]N[5a]N[5])(C[5a]C[5a]H){3|C<3>}	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	111.8483	0.143	3	111.4212	0.210	17	111.1956	0.168	84	111.8037	3.857	159	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H)	S[5a](C[5a]N[5a]N[6])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H){1|N<3>,2|C<3>}	S[5a](C[5a]N[5a]N[6])(C[5a]C[5a]H){1|C<4>,2|C<3>}	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	111.6540	0.000	1	111.6540	0.000	1	111.1956	0.168	84	111.8037	3.857	159	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a](C[5a]C[6a]S[5a])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]S[5a]O)	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	C[5a](C[5a]C[6a]S[5a])(S[5a]C[5a])(H){1|O<1>,2|C<3>}	S[5a](C[5a]C[5a]H)(C[5a]S[5a]O){1|C<3>}	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|O<1>,2|C<3>,2|H<1>}	118.5360	0.000	1	118.5360	0.000	1	118.5360	0.000	1	111.8037	3.857	159	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]N[5a]N)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]S[5a]H)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H){1|N<3>,2|C<3>}	S[5a](C[5a]C[5a]H)(C[5a]N[5a]N){1|C<3>}	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]S[5a]H)(N[5a]C[5a]){1|H<1>,1|N<3>,3|C<3>}	111.1250	0.000	1	111.1250	0.000	1	110.3298	0.307	4	111.8037	3.857	159	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]N[5a]N)	C[5a](C[6a]C[6a]N[6a])(C[5a]S[5a]H)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(H){1|C<3>,1|N<2>,1|N<3>}	S[5a](C[5a]C[5a]H)(C[5a]N[5a]N){1|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]S[5a]H)(N[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	110.0647	0.197	3	110.0647	0.039	3	110.3298	0.307	4	111.8037	3.857	159	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[6a]S[5a])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]S[5a]O)	C[5a](C[6a]C[6a]N[6a])(C[5a]S[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[6a]S[5a])(S[5a]C[5a])(H){1|C<3>,1|N<2>,1|O<1>}	S[5a](C[5a]C[5a]H)(C[5a]S[5a]O){1|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]S[5a]H)(S[5a]C[5a]){1|C<3>,1|N<3>,2|O<1>}	118.1630	0.000	1	118.2045	0.003	2	118.2045	0.003	2	111.8037	3.857	159	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[6a]S[5a])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]S[5a]O)	C[5a](C[6a]C[6a]N[6a])(C[5a]S[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[6a]S[5a])(S[5a]C[5a])(H){1|C<3>,1|N<2>,1|O<1>}	S[5a](C[5a]C[5a]H)(C[5a]S[5a]O){1|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]S[5a]H)(S[5a]C[5a]){1|H<1>,1|O<1>,2|C<3>}	118.2460	0.000	1	118.2045	0.003	2	118.2045	0.003	2	111.8037	3.857	159	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:I-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(I)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]I)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]I)(CN)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(I){1|C<3>,1|C<4>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]I){1|C<2>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]I)(CN){1|C<3>}	111.3540	0.000	1	111.3540	0.000	1	111.3540	0.000	1	111.8037	3.857	159	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:I-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(I)	S[5a](C[5a]C[5a]I)(C[5a]N[5a]N)	C[5a](C[5a]S[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(I){1|N<3>,2|C<3>}	S[5a](C[5a]C[5a]I)(C[5a]N[5a]N){1|C<3>}	C[5a](C[5a]S[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	111.7370	0.404	2	111.7370	0.164	2	111.7370	0.164	2	111.8037	3.857	159	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:O-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5]-3:S[5a]-2:	C[5a](C[5a]S[5a]C[5])(S[5a]C[5a])(O)	S[5a](C[5a]S[5a]C[5])(C[5a]C[5a]O)	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){2|Se<2>,1|C<3>}	S[5a](C[5a]S[5a]C[5])(C[5a]C[5a]O){1|C<3>,2|S<2>}	C[5a](C[5a]S[5a]O)(C[5]Se[5]2)(S[5a]C[5a]){3|C<3>}	113.3405	1.534	2	113.2782	0.564	6	113.2782	0.564	6	111.8037	3.857	159	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:O-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5]-3:S[5a]-2:	C[5a](C[5a]S[5a]C[5])(S[5a]C[5a])(O)	S[5a](C[5a]S[5a]C[5])(C[5a]C[5a]O)	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){2|Se<2>,1|C<3>}	S[5a](C[5a]S[5a]C[5])(C[5a]C[5a]O){2|Se<2>,1|C<3>}	C[5a](C[5a]S[5a]O)(C[5]Se[5]2)(S[5a]C[5a]){3|C<3>}	113.2470	0.391	4	113.2782	0.564	6	113.2782	0.564	6	111.8037	3.857	159	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(Br)	S[5a](C[5a]C[5a]Br)2	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]H)(CCH)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(Br){1|Br<1>,1|H<1>}	S[5a](C[5a]C[5a]Br)2{1|C<3>,1|H<1>}	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]H)(CCH){1|Br<1>}	113.8250	0.218	2	113.8250	0.047	2	113.8250	0.047	2	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(Br)	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]Cl)	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(Br){1|Cl<1>,1|H<1>,2|C<3>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]Cl){1|C<3>,1|H<1>}	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]2)(C[5a]C[5a]H){1|Cl<1>,1|H<1>,1|S<2>,2|C<3>}	113.8730	0.462	2	113.8730	0.214	2	113.8730	0.214	2	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(S[5a]C[5a])(Br)	S[5a](C[5a]C[5a]Br)2	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]N)(NOO)	C[5a](C[5a]C[5a]N)(S[5a]C[5a])(Br){1|Br<1>,1|N<3>}	S[5a](C[5a]C[5a]Br)2{2|N<3>}	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]N)(NOO){1|Br<1>}	111.8120	0.000	1	111.8120	0.000	1	111.8120	0.000	1	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[6])(S[5a]C[5a])(Br)	S[5a](C[5a]C[5a]Br)2	C[5a](C[5a]S[5a]Br)(C[6]C[5a,6]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6])(S[5a]C[5a])(Br){1|Br<1>,1|H<1>,2|C<3>}	S[5a](C[5a]C[5a]Br)2{1|C<3>,1|H<1>}	C[5a](C[5a]S[5a]Br)(C[6]C[5a,6]2)(C[5a]C[5a]H){1|Br<1>,2|C<3>,2|N<3>}	113.6740	0.000	1	113.6740	0.000	1	113.6740	0.000	1	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(Br)	S[5a](C[5a]C[5a]Br)2	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]S[5a]Br)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(Br){1|Br<1>,1|H<1>,2|C<3>}	S[5a](C[5a]C[5a]Br)2{1|C<3>,1|H<1>}	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]S[5a]Br)(C[5a]C[5a]H){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	113.3988	0.373	6	113.3988	0.139	6	113.3988	0.139	6	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(Cl)	S[5a](C[5a]C[5a]Cl)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){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>}	S[5a](C[5a]C[5a]Cl)2{1|C<3>,1|H<1>}	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>}	113.6250	0.000	1	113.6250	0.000	1	113.6250	0.000	1	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(Cl)	S[5a](C[5a]C[5a]Cl)2	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]H)(CCN)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(Cl){1|Cl<1>,1|H<1>}	S[5a](C[5a]C[5a]Cl)2{1|C<3>,1|H<1>}	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]H)(CCN){1|Cl<1>}	113.7310	0.242	2	113.7310	0.058	2	113.3708	0.123	11	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(Cl)	S[5a](C[5a]C[5a]Cl)2	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]H)(CCO)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(Cl){1|Cl<1>,1|H<1>}	S[5a](C[5a]C[5a]Cl)2{1|C<3>,1|H<1>}	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]H)(CCO){1|Cl<1>}	113.3639	0.237	7	113.3639	0.056	7	113.3708	0.123	11	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(Cl)	S[5a](C[5a]C[5a]Cl)2	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(Cl){1|Cl<1>,1|H<1>}	S[5a](C[5a]C[5a]Cl)2{1|C<3>,1|H<1>}	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]H)(COO){1|Cl<1>}	113.0350	0.588	2	113.0350	0.346	2	113.3708	0.123	11	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(Cl)	S[5a](C[5a]C[5a]Cl)2	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(Cl){1|Cl<1>,1|H<1>,2|C<3>}	S[5a](C[5a]C[5a]Cl)2{1|C<3>,1|H<1>}	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]2)(C[5a]C[5a]H){1|Cl<1>,1|H<1>,1|S<2>,2|C<3>}	113.9688	0.250	4	113.9688	0.062	4	113.9688	0.062	4	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5,5a]C[6a])(S[5a]C[5,5a])(H)	S[5a](C[5,5a]C[5,5a]S[5])(C[5a]C[5a]H)	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]S[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[5,5a]C[6a])(S[5a]C[5,5a])(H){2|C<3>,2|S<2>}	S[5a](C[5,5a]C[5,5a]S[5])(C[5a]C[5a]H){1|S<2>,2|C<3>}	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]S[5a]H)(C[6a]C[6a]2){1|S<2>,2|H<1>,3|C<3>}	114.9760	0.000	1	114.9760	0.000	1	114.9760	0.000	1	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(H)	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a,5a]C[5a])(C[5a]S[5a]H)	C[5a](C[5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(H){1|S<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]H){2|C<3>,2|S<2>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a,5a]C[5a])(C[5a]S[5a]H){1|H<1>,2|S<2>,3|C<3>}	115.0080	0.000	1	115.0080	0.000	1	114.6650	0.102	7	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(H)	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a,5a]C[5a])(C[5a]S[5a]H)	C[5a](C[5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(H){1|S<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a,5a]C[5a])(C[5a]S[5a]H){1|H<1>,2|S<2>,3|C<3>}	114.5145	0.344	4	114.6078	0.095	6	114.6650	0.102	7	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(H)	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a,5a]C[5a])(C[5a]S[5a]H)	C[5a](C[5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(H){1|S<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H){1|S<2>,3|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a,5a]C[5a])(C[5a]S[5a]H){1|H<1>,2|S<2>,3|C<3>}	114.7945	0.122	2	114.6078	0.095	6	114.6650	0.102	7	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(H)	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]S[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(H){1|N<3>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]H){1|C<4>,3|C<3>}	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]S[5a]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	114.1980	0.000	1	114.1980	0.000	1	114.1980	0.000	1	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a,5a]-3:C[5a]-3:	C[5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a](C[5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(H)	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2)(C[5a]S[5a]H)	C[5a](C[5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(H){1|S<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]H){3|C<3>}	C[5a](C[5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2)(C[5a]S[5a]H){1|H<1>,2|S<2>,4|C<3>}	114.3765	0.165	2	114.3765	0.027	2	114.3765	0.027	2	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(H)	S[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]S[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(H){1|N<2>,3|C<3>}	S[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H){3|C<3>}	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]S[5a]H)(C[6a]C[6a]2){1|Br<1>,1|H<1>,1|N<2>,4|C<3>}	113.8200	0.000	1	113.8200	0.000	1	114.2710	0.407	2	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(H)	S[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(H){2|C<3>,2|N<2>}	S[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H){1|N<2>,2|C<3>}	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	114.7220	0.000	1	114.7220	0.000	1	114.2710	0.407	2	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6]C[6a])(S[5a]C[5a,6])(H)	S[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]C[5a]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6]C[6a])(S[5a]C[5a,6])(H){1|C<4>,3|C<3>}	S[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]C[5a]H){1|C<3>,1|N<2>,2|C<4>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]H)(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	113.8860	0.000	1	113.8860	0.000	1	113.8860	0.000	1	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]H)(CCC)	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(H){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]H)(CCC){1|O<2>,2|C<3>}	114.9940	0.000	1	114.9940	0.000	1	114.3506	0.188	7	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(CCH)	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(H){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(CCH){1|H<1>,2|C<3>}	114.2120	0.000	1	114.2120	0.000	1	114.3506	0.188	7	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(CC[6,6]H)	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(H){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(CC[6,6]H){1|H<1>,2|C<3>}	113.5950	0.000	1	113.5950	0.000	1	114.3506	0.188	7	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(CHN)	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(H){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(CHN){1|H<1>,2|C<3>}	114.4133	0.188	4	114.4133	0.035	4	114.3506	0.188	7	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5a])(S[5a]C[5a,6a])(H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]S[5a]H)	C[5a](C[5a]C[5a,6a]C[5a])(S[5a]C[5a,6a])(H){1|N<2>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]S[5a]H){1|H<1>,1|S<2>,4|C<3>}	113.9963	0.156	3	113.9963	0.024	3	113.9013	0.052	4	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5a])(S[5a]C[5a,6a])(H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S[5a])(C[5a]S[5a]H)	C[5a](C[5a]C[5a,6a]C[5a])(S[5a]C[5a,6a])(H){1|N<2>,1|S<2>,2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S[5a])(C[5a]S[5a]H){1|H<1>,4|C<3>}	113.6160	0.000	1	113.6160	0.000	1	113.9013	0.052	4	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(H){4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(C[6a]C[6a]2){3|H<1>,4|C<3>}	114.2990	0.000	1	114.2990	0.000	1	114.2990	0.000	1	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a,6a]N)(S[5a]C[5a,6a])(H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]S[5a]H)(NOO)	C[5a](C[5a]C[5a,6a]N)(S[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|N<2>,1|O<1>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]S[5a]H)(NOO){2|C<3>}	112.3350	0.000	1	112.3350	0.000	1	112.3350	0.000	1	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6])(S[5a]C[5a,6a])(H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]2)(C[5a]S[5a]H)	C[5a](C[5a]C[5a,6a]C[6])(S[5a]C[5a,6a])(H){4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]2)(C[5a]S[5a]H){1|H<1>,2|N<3>,4|C<3>}	113.3300	0.000	1	113.3300	0.000	1	113.3300	0.000	1	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]H)	C[5a](C[5a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(H){4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]H){1|H<1>,1|S<2>,5|C<3>}	115.6130	0.000	1	115.6130	0.000	1	115.6130	0.000	1	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	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){1|C<3>,1|C<4>,2|H<1>}	S[5a](C[5a]C[5a]H)2{1|C<3>,1|H<1>}	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>}	112.0610	0.000	1	112.0610	0.000	1	112.0610	0.000	1	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(CC[6a]O)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H){2|C<3>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(CC[6a]O){1|C<3>}	113.2520	0.000	1	113.2520	0.000	1	112.3123	0.232	43	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(CCH)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]H)2{2|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(CCH){1|H<1>}	112.7975	0.375	2	112.7975	0.141	2	112.3123	0.232	43	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(COO)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]H)2{2|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(COO){1|H<1>}	112.4820	0.076	2	112.4820	0.006	2	112.3123	0.232	43	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CCC)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H){2|H<1>}	S[5a](C[5a]C[5a]H)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CCC){1|H<1>}	112.4510	0.302	4	112.4510	0.091	4	112.3123	0.232	43	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CCH)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H){2|H<1>}	S[5a](C[5a]C[5a]H)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CCH){1|H<1>}	112.5228	0.286	11	112.5228	0.082	11	112.3123	0.232	43	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CCN)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H){2|H<1>}	S[5a](C[5a]C[5a]H)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CCN){1|H<1>}	111.7670	0.000	1	111.7670	0.000	1	112.3123	0.232	43	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CCO)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H){2|H<1>}	S[5a](C[5a]C[5a]H)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CCO){1|H<1>}	112.2013	0.539	10	112.2013	0.291	10	112.3123	0.232	43	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CCS)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H){2|H<1>}	S[5a](C[5a]C[5a]H)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CCS){1|H<1>}	112.0955	0.203	2	112.0955	0.041	2	112.3123	0.232	43	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CC[5a]O)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H){2|H<1>}	S[5a](C[5a]C[5a]H)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CC[5a]O){1|H<1>}	112.5940	0.000	1	112.5940	0.000	1	112.3123	0.232	43	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CC[6]O)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H){2|H<1>}	S[5a](C[5a]C[5a]H)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CC[6]O){1|H<1>}	110.8700	0.000	1	110.8700	0.000	1	112.3123	0.232	43	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CC[6a]C)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H){2|H<1>}	S[5a](C[5a]C[5a]H)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CC[6a]C){1|H<1>}	111.8100	0.000	1	111.8100	0.000	1	112.3123	0.232	43	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CHN)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H){2|H<1>}	S[5a](C[5a]C[5a]H)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CHN){1|H<1>}	111.9770	0.195	4	111.9770	0.038	4	112.3123	0.232	43	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CNO)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H){2|H<1>}	S[5a](C[5a]C[5a]H)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CNO){1|H<1>}	111.8320	0.000	1	111.8320	0.000	1	112.3123	0.232	43	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(COO)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H){2|H<1>}	S[5a](C[5a]C[5a]H)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(COO){1|H<1>}	112.7150	0.000	1	112.7150	0.000	1	112.3123	0.232	43	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CTeC)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H){2|H<1>}	S[5a](C[5a]C[5a]H)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CTeC){1|H<1>}	112.3610	0.000	1	112.3610	0.000	1	112.3123	0.232	43	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[4]-3:	C[5a](C[5a]C[5a]C[4])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(C[4]C[4]2)	C[5a](C[5a]C[5a]C[4])(S[5a]C[5a])(H){1|C<3>,1|C<4>,2|H<1>}	S[5a](C[5a]C[5a]H)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(C[4]C[4]2){1|C<4>,4|H<1>}	111.7020	0.000	1	111.7020	0.000	1	111.7020	0.000	1	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	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){1|C<3>,1|C<4>,2|H<1>}	S[5a](C[5a]C[5a]H)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(C[5]C[5]2){3|C<4>,3|H<1>}	113.0110	0.000	1	113.0110	0.000	1	112.3730	0.814	2	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	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){2|H<1>,2|N<3>}	S[5a](C[5a]C[5a]H)2{1|C<3>,1|H<1>}	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>}	111.7350	0.000	1	111.7350	0.000	1	112.3730	0.814	2	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]2)2(C[5a]S[5a]H)	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(H){4|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|S<2>,3|C<3>}	C[5a](C[5a]C[5a]2)2(C[5a]S[5a]H){1|H<1>,1|S<2>,5|C<3>}	112.5850	0.170	4	112.5850	0.029	4	112.2842	0.183	38	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]B[5])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]2)2(C[5a]S[5a]H)	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(H){1|B<3>,3|C<3>}	S[5a](C[5a]C[5a]B[5])(C[5a]C[5a]H){2|C<3>,2|O<2>}	C[5a](C[5a]C[5a]2)2(C[5a]S[5a]H){1|S<2>,2|B<3>,4|C<3>}	112.3462	0.295	4	112.3462	0.087	4	112.2842	0.183	38	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(C[5a]S[5a]H)	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(H){1|C<4>,1|H<1>,2|C<3>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(C[5a]S[5a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	111.9185	0.067	2	111.9185	0.005	2	112.2842	0.183	38	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(C[5a]S[5a]H)	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(H){1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(C[5a]S[5a]H){1|S<2>,2|C<3>,2|H<1>}	112.8045	0.036	2	112.8045	0.001	2	112.2842	0.183	38	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]Cl)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(C[5a]S[5a]H)	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(H){1|Cl<1>,1|H<1>,2|C<3>}	S[5a](C[5a]C[5a]Cl)(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(C[5a]S[5a]H){1|Cl<1>,1|H<1>,1|S<2>,2|C<3>}	112.5970	0.171	2	112.5970	0.029	2	112.2842	0.183	38	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]2)2(C[5a]S[5a]H)	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(H){1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]H)2{2|C<3>}	C[5a](C[5a]C[5a]2)2(C[5a]S[5a]H){1|S<2>,2|H<1>,4|C<3>}	112.6155	0.080	2	112.5400	0.010	4	112.2842	0.183	38	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]2)2(C[5a]S[5a]H)	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(H){1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]H)2{2|C<3>}	C[5a](C[5a]C[5a]2)2(C[5a]S[5a]H){1|Si<4>,1|H<1>,1|S<2>,4|C<3>}	112.4645	0.046	2	112.5400	0.010	4	112.2842	0.183	38	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]S[5a]H)	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(H){1|C<3>,1|N<3>,2|H<1>}	S[5a](C[5a]C[5a]H)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]S[5a]H){1|C<4>,2|C<3>,2|H<1>}	113.0200	0.000	1	113.0200	0.000	1	112.2842	0.183	38	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(C[5a]S[5a]H)	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(H){1|C<3>,1|S<2>,2|H<1>}	S[5a](C[5a]C[5a]H)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(C[5a]S[5a]H){2|C<3>,2|H<1>}	112.1730	0.595	5	112.1730	0.354	5	112.2842	0.183	38	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]Si)(C[5a]C[5a]2)(C[5a]S[5a]H)	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(H){1|Si<4>,1|H<1>,2|C<3>}	S[5a](C[5a]C[5a]H)2{1|Si<4>,1|C<3>}	C[5a](C[5a]C[5a]Si)(C[5a]C[5a]2)(C[5a]S[5a]H){1|Si<4>,1|C<3>,1|S<2>,2|H<1>}	112.1873	0.288	4	112.1873	0.083	4	112.2842	0.183	38	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]H)(C[5a]S[5a]H)	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(H){1|C<3>,1|N<3>,2|H<1>}	S[5a](C[5a]C[5a]H)2{1|C<3>,1|H<1>}	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]H)(C[5a]S[5a]H){1|B<4>,2|C<3>,2|H<1>}	111.7870	0.000	1	111.7870	0.000	1	112.2842	0.183	38	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]2)2(C[5a]S[5a]H)	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(H){1|Si<4>,3|C<3>}	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]H){2|C<3>}	C[5a](C[5a]C[5a]2)2(C[5a]S[5a]H){1|Si<4>,1|H<1>,1|S<2>,4|C<3>}	111.9294	0.405	8	111.9294	0.164	8	112.2842	0.183	38	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(C[5a]S[5a]H)	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(H){1|Si<4>,1|C<3>,1|H<1>,1|S<2>}	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(C[5a]S[5a]H){1|Si<4>,1|H<1>,2|C<3>}	112.4170	0.000	1	112.4170	0.000	1	112.2842	0.183	38	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(H){1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(C[6a]C[6a]2){2|H<1>,3|C<3>}	114.0015	0.152	2	114.0015	0.023	2	112.6908	0.557	20	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(H){1|C<2>,1|N<3>,2|C<3>}	S[5a](C[5a]C[5a]H)(C[5a]C[5a]N){1|C<2>,1|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>}	113.7140	0.000	1	113.7140	0.000	1	112.6908	0.557	20	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(H){1|C<4>,1|H<1>,2|C<3>}	S[5a](C[5a]C[5a]H)2{1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(C[6a]C[6a]2){1|C<4>,2|C<3>,2|H<1>}	112.1696	0.433	10	112.1696	0.187	10	112.6908	0.557	20	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(H){1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]H)2{2|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]H)(C[6a]C[6a]2){3|H<1>,4|C<3>}	113.5085	0.170	2	113.5085	0.029	2	112.6908	0.557	20	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(H){2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]H)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(C[6a]C[6a]2){1|C<4>,2|C<3>,2|H<1>}	112.6810	0.000	1	112.6670	0.000	2	112.6908	0.557	20	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(H){2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]H)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(C[6a]C[6a]2){2|C<3>,3|H<1>}	112.6530	0.000	1	112.6670	0.000	2	112.6908	0.557	20	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(C[6a]N[6a]2)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(H){2|H<1>,2|N<2>}	S[5a](C[5a]C[5a]H)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(C[6a]N[6a]2){1|H<1>,2|C<3>}	112.5300	0.417	2	112.5300	0.174	2	112.6908	0.557	20	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]N[6])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(H){1|N<3>,3|C<3>}	S[5a](C[5a]C[5a]N[6])(C[5a]C[5a]H){2|C<3>,2|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>}	112.9910	0.000	1	112.9910	0.000	1	112.6908	0.557	20	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(NOO)	C[5a](C[5a]C[5a]N)(S[5a]C[5a])(H){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(NOO){1|C<3>}	110.4720	0.000	1	110.4720	0.000	1	110.4720	0.000	1	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]N[5a])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]Br)(C[5a]S[5a]H)(N[5a]C[5a]2)	C[5a](C[5a]C[5a]N[5a])(S[5a]C[5a])(H){1|Br<1>,1|H<1>,2|C<3>}	S[5a](C[5a]C[5a]H)2{1|Br<1>,1|N<3>}	C[5a](C[5a]C[5a]Br)(C[5a]S[5a]H)(N[5a]C[5a]2){1|C<3>,1|N<2>,3|H<1>}	111.3700	0.000	1	111.3700	0.000	1	111.4163	0.002	3	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]N[5a])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]S[5a]H)(N[5a]C[5a]2)	C[5a](C[5a]C[5a]N[5a])(S[5a]C[5a])(H){1|H<1>,1|N<3>,2|C<3>}	S[5a](C[5a]C[5a]H)2{2|N<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]S[5a]H)(N[5a]C[5a]2){1|N<2>,3|C<3>,3|H<1>}	111.4395	0.013	2	111.4395	0.000	2	111.4163	0.002	3	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[6]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[6])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(C[5a]S[5a]H)	C[5a](C[5a]C[5a]C[6])(S[5a]C[5a])(H){2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]H)2{1|C<3>,1|H<1>}	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(C[5a]S[5a]H){1|H<1>,2|C<3>,2|N<3>}	112.5040	0.000	1	112.5040	0.000	1	112.0247	0.461	6	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[6]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[6])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(C[5a]S[5a]H)	C[5a](C[5a]C[5a]C[6])(S[5a]C[5a])(H){2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]H)2{1|C<3>,1|H<1>}	C[5a](C[6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(C[5a]S[5a]H){1|H<1>,1|N<3>,3|C<3>}	111.4820	0.000	1	111.4820	0.000	1	112.0247	0.461	6	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[6]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[6])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[6]C[6,6]O[6])(C[5a]C[5a]H)(C[5a]S[5a]H)	C[5a](C[5a]C[5a]C[6])(S[5a]C[5a])(H){1|C<3>,1|O<2>,2|H<1>}	S[5a](C[5a]C[5a]H)2{1|C<3>,1|H<1>}	C[5a](C[6]C[6,6]O[6])(C[5a]C[5a]H)(C[5a]S[5a]H){1|H<1>,1|O<2>,2|C<3>}	113.0920	0.000	1	113.0920	0.000	1	112.0247	0.461	6	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[6]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[6])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(C[5a]S[5a]H)	C[5a](C[5a]C[5a]C[6])(S[5a]C[5a])(H){1|C<3>,1|O<2>,2|H<1>}	S[5a](C[5a]C[5a]H)2{1|C<3>,1|H<1>}	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(C[5a]S[5a]H){2|C<3>,2|H<1>}	112.1080	0.000	1	112.1080	0.000	1	112.0247	0.461	6	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[6]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[6])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[6]N[6]O[6])(C[5a]C[5a]H)(C[5a]S[5a]H)	C[5a](C[5a]C[5a]C[6])(S[5a]C[5a])(H){1|N<2>,1|O<2>,2|H<1>}	S[5a](C[5a]C[5a]H)2{1|C<3>,1|H<1>}	C[5a](C[6]N[6]O[6])(C[5a]C[5a]H)(C[5a]S[5a]H){1|B<4>,1|C<3>,1|H<1>}	111.4810	0.212	2	111.4810	0.045	2	112.0247	0.461	6	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(C[5a]S[5a]H)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(H){1|C<4>,1|H<1>,2|C<3>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(C[5a]S[5a]H){1|C<4>,1|H<1>,3|C<3>}	112.3804	1.865	9	112.3804	3.477	9	112.4710	1.602	19	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[5a]S[5a]H)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(H){2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]H)2{1|C<3>,1|H<1>}	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[5a]S[5a]H){1|O<2>,2|C<3>,2|H<1>}	113.3010	0.000	1	113.3010	0.000	1	112.4710	1.602	19	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[6a]C[6,6a]C[6a])(C[5a]C[5a]H)(C[5a]S[5a]H)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(H){2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]H)2{1|C<3>,1|H<1>}	C[5a](C[6a]C[6,6a]C[6a])(C[5a]C[5a]H)(C[5a]S[5a]H){1|O<2>,2|C<3>,2|H<1>}	112.5080	0.000	1	112.5080	0.000	1	112.4710	1.602	19	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C[6a])(C[5a]S[5a]H)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(H){1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]H)2{2|C<3>}	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C[6a])(C[5a]S[5a]H){1|N<2>,2|H<1>,4|C<3>}	112.5273	0.174	6	112.5273	0.030	6	112.4710	1.602	19	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(C[5a]S[5a]H)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(H){1|C<3>,1|N<2>,2|H<1>}	S[5a](C[5a]C[5a]H)2{1|C<3>,1|H<1>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(C[5a]S[5a]H){1|H<1>,1|N<2>,2|C<3>}	112.2760	0.102	2	112.2760	0.010	2	112.4710	1.602	19	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]N[5a])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]S[5a]H)	C[5a](C[5a]C[5a]N[5a])(S[5a]C[5a])(H){1|H<1>,1|N<2>,2|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]S[5a]H){1|H<1>,1|N<2>,2|C<3>}	110.3900	0.000	1	110.3900	0.000	1	110.6673	0.118	3	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]N[5a])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]S[5a]H)	C[5a](C[5a]C[5a]N[5a])(S[5a]C[5a])(H){1|C<3>,1|N<2>,2|H<1>}	S[5a](C[5a]C[5a]H)2{1|H<1>,1|N<3>}	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]S[5a]H){1|C<3>,1|N<2>,2|H<1>}	110.8060	0.346	2	110.8060	0.120	2	110.6673	0.118	3	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:I-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(I)	S[5a](C[5a]C[5a]H)(C[5a]C[5a]I)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]I)(CC[5a]O)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(I){2|H<1>}	S[5a](C[5a]C[5a]H)(C[5a]C[5a]I){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]I)(CC[5a]O){1|H<1>}	111.7185	0.078	2	111.7185	0.006	2	111.7185	0.006	2	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:I-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(I)	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]I)	C[5a](C[5a]C[5a]2)2(C[5a]S[5a]I)	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(I){1|Si<4>,3|C<3>}	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]I){2|C<3>}	C[5a](C[5a]C[5a]2)2(C[5a]S[5a]I){1|Si<4>,1|I<1>,1|S<2>,4|C<3>}	111.9145	0.525	4	111.9145	0.276	4	111.9145	0.276	4	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:I-1:	C[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]N[5a])(S[5a]C[5a])(I)	S[5a](C[5a]C[5a]H)(C[5a]C[5a]I)	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]S[5a]I)	C[5a](C[5a]C[5a]N[5a])(S[5a]C[5a])(I){1|C<3>,1|N<2>,2|H<1>}	S[5a](C[5a]C[5a]H)(C[5a]C[5a]I){1|H<1>,1|N<3>}	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]S[5a]I){1|H<1>,1|I<1>,2|C<3>}	111.6670	0.000	1	111.6670	0.000	1	111.6670	0.000	1	112.7345	1.079	201	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:Br-1:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:Si-4:	C[5a](C[5a]C[5a,5a]Si)(S[5a]C[5a,5a])(Br)	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]Br)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]Br)(SiC3)	C[5a](C[5a]C[5a,5a]Si)(S[5a]C[5a,5a])(Br){1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]Br){1|Si<4>,1|C<3>,2|S<2>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]Br)(SiC3){2|C<3>}	116.3347	0.645	4	116.3347	0.416	4	116.3347	0.416	4	113.2978	1.364	104	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(Br)	S[5a](C[5a]B[5,5]C[5a])(C[5a]C[5a]Br)	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(Br){1|B<4>,1|H<1>}	S[5a](C[5a]B[5,5]C[5a])(C[5a]C[5a]Br){1|C<4>,1|H<1>,1|N<4>,2|O<2>}	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]H)(CCHH){1|B<4>}	113.7335	0.125	2	113.7335	0.016	2	114.2040	0.169	7	113.2978	1.364	104	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(Br)	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2)	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(Br){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]H)(CCHH){1|C<3>}	114.1850	0.000	1	114.1850	0.000	1	114.2040	0.169	7	113.2978	1.364	104	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(Br)	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]Br)	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(Br){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]Br){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]H)(CCHH){1|C<3>}	114.4440	0.330	4	114.4440	0.109	4	114.2040	0.169	7	113.2978	1.364	104	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:Br-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[4]-4:	C[5a](C[5a]C[5a]C[4])(S[5a]C[5a])(Br)	S[5a](C[5a]C[5a]Br)2	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]H)(C[4]C[4]2H)	C[5a](C[5a]C[5a]C[4])(S[5a]C[5a])(Br){1|Br<1>,2|C<4>,2|H<1>}	S[5a](C[5a]C[5a]Br)2{1|C<4>,1|H<1>}	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]H)(C[4]C[4]2H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	113.7730	0.386	2	113.7730	0.149	2	113.7730	0.149	2	113.2978	1.364	104	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(Cl)	S[5a](C[5a]C[5a]Cl)(C[5a]C[5a]H)	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]H)(CHHO)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(Cl){2|H<1>}	S[5a](C[5a]C[5a]Cl)(C[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]H)(CHHO){1|H<1>}	113.3920	0.762	2	113.3920	0.581	2	113.3920	0.581	2	113.2978	1.364	104	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:H-1:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5,5a]C)(S[5a]C[5,5a])(H)	S[5a](C[5,5a]C[5,5a]S[5])(C[5a]C[5a]H)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]H)(CH3)	C[5a](C[5a]C[5,5a]C)(S[5a]C[5,5a])(H){1|C<3>,1|S<2>}	S[5a](C[5,5a]C[5,5a]S[5])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|S<2>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]H)(CH3){3|S<2>}	114.0290	0.000	1	114.0290	0.000	1	114.0290	0.000	1	113.2978	1.364	104	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:H-1:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,5a]C)(S[5a]C[5a,5a])(H)	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]H)(CH3)	C[5a](C[5a]C[5a,5a]C)(S[5a]C[5a,5a])(H){1|C<3>,1|N<3>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|N<3>,1|S<2>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]H)(CH3){3|C<3>}	115.0430	0.000	1	115.0430	0.000	1	114.4469	0.332	7	113.2978	1.364	104	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:H-1:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,5a]C)(S[5a]C[5a,5a])(H)	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(CCHH)	C[5a](C[5a]C[5a,5a]C)(S[5a]C[5a,5a])(H){1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]H){1|C<3>,1|C<4>,2|S<2>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(CCHH){2|C<3>}	113.8960	0.000	1	113.8960	0.000	1	114.4469	0.332	7	113.2978	1.364	104	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:H-1:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,5a]C)(S[5a]C[5a,5a])(H)	S[5a](C[5a,5a]C[5a,5a]C[5,5a])(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(CH3)	C[5a](C[5a]C[5a,5a]C)(S[5a]C[5a,5a])(H){1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]C[5,5a])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|P<4>,1|S<2>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(CH3){2|C<3>}	114.2392	0.426	4	114.2392	0.182	4	114.4469	0.332	7	113.2978	1.364	104	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:H-1:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,5a]C)(S[5a]C[5a,5a])(H)	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(CCHH)	C[5a](C[5a]C[5a,5a]C)(S[5a]C[5a,5a])(H){1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H){1|C<3>,1|S<2>,2|C<4>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)(CCHH){2|C<3>}	115.2320	0.000	1	115.2320	0.000	1	114.4469	0.332	7	113.2978	1.364	104	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:H-1:	C[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a,5a]C)(S[5a]C[5a,5a])(H)	S[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]S[5a]H)(CC[6a]HH)	C[5a](C[5a]N[5a,5a]C)(S[5a]C[5a,5a])(H){1|C<3>,1|N<2>}	S[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H){1|C<4>,2|C<3>}	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]S[5a]H)(CC[6a]HH){1|N<2>,2|C<3>}	113.6660	0.174	2	113.6660	0.030	2	113.8023	0.037	6	113.2978	1.364	104	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:H-1:	C[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a,5a]C)(S[5a]C[5a,5a])(H)	S[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]H)(CCHH)	C[5a](C[5a]N[5a,5a]C)(S[5a]C[5a,5a])(H){1|C<3>,1|N<2>}	S[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H){1|C<4>,2|C<3>}	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]H)(CCHH){1|C<3>,1|H<1>,1|N<2>}	113.8433	0.213	3	113.8433	0.045	3	113.8023	0.037	6	113.2978	1.364	104	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:H-1:	C[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a,5a]C)(S[5a]C[5a,5a])(H)	S[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]H)(CH3)	C[5a](C[5a]N[5a,5a]C)(S[5a]C[5a,5a])(H){1|C<3>,1|N<2>}	S[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H){1|C<4>,2|C<3>}	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	113.9520	0.000	1	113.9520	0.000	1	113.8023	0.037	6	113.2978	1.364	104	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(CBrHH)	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(H){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(CBrHH){1|H<1>,2|C<3>}	114.5250	0.000	1	114.5250	0.000	1	114.3956	1.235	9	113.2978	1.364	104	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(CCCH)	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(H){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(CCCH){1|H<1>,2|C<3>}	113.8490	0.000	1	113.8490	0.000	1	114.3956	1.235	9	113.2978	1.364	104	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(CCHH)	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(H){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(CCHH){1|H<1>,2|C<3>}	114.9065	1.553	4	114.9065	2.412	4	114.3956	1.235	9	113.2978	1.364	104	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(CC[6a]HH)	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(H){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(CC[6a]HH){1|H<1>,2|C<3>}	114.2370	0.000	1	114.2370	0.000	1	114.3956	1.235	9	113.2978	1.364	104	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(CN[5]CH)	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(H){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(CN[5]CH){1|H<1>,2|C<3>}	113.6615	0.431	2	113.6615	0.185	2	114.3956	1.235	9	113.2978	1.364	104	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a](C[5a]C[5a,6a]C[6])(S[5a]C[5a,6a])(H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(C[6]C[6]2C)	C[5a](C[5a]C[5a,6a]C[6])(S[5a]C[5a,6a])(H){1|C<2>,2|C<3>,2|C<4>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(C[6]C[6]2C){2|C<3>,2|C<4>,5|H<1>}	114.4500	0.000	1	114.4500	0.000	1	114.4500	0.000	1	113.2978	1.364	104	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CCHH)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CCHH){1|C<3>}	112.4150	0.000	1	113.1252	0.226	4	112.6751	0.438	54	113.2978	1.364	104	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CCHH)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<2>,1|S<2>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CCHH){1|C<3>}	113.3620	0.053	3	113.1252	0.226	4	112.6751	0.438	54	113.2978	1.364	104	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(CCHH)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H){1|C<2>,1|C<4>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(CCHH){1|C<2>}	113.2480	0.000	1	113.2565	0.000	2	112.6751	0.438	54	113.2978	1.364	104	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(CCHH)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H){1|C<3>,1|C<4>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(CCHH){1|C<3>}	113.2650	0.000	1	113.2565	0.000	2	112.6751	0.438	54	113.2978	1.364	104	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CC[5a]2H)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CC[5a]2H){1|C<3>}	113.1957	0.326	3	113.1957	0.106	3	112.6751	0.438	54	113.2978	1.364	104	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CH3)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CH3){1|C<3>}	113.3533	0.226	3	113.3533	0.051	3	112.6751	0.438	54	113.2978	1.364	104	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]N)(C[5a]S[5a]H)(CH3)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H){1|C<3>,1|N<4>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<4>,1|N<4>}	C[5a](C[5a]C[5a]N)(C[5a]S[5a]H)(CH3){1|C<3>}	113.7170	0.000	1	113.7170	0.000	1	112.6751	0.438	54	113.2978	1.364	104	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CCHH)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CCHH){1|C<3>}	112.5570	0.212	3	112.5570	0.045	3	112.6751	0.438	54	113.2978	1.364	104	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CH3)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CH3){1|C<3>}	112.7365	0.137	6	112.7365	0.019	6	112.6751	0.438	54	113.2978	1.364	104	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(CCHH)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H){1|C<3>,1|N<3>}	S[5a](C[5a]C[5a]H)(C[5a]C[5a]N){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(CCHH){1|N<3>}	113.9280	0.000	1	113.9280	0.000	1	112.6751	0.438	54	113.2978	1.364	104	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(CH3)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H){1|C<2>,1|N<3>}	S[5a](C[5a]C[5a]H)(C[5a]C[5a]N){1|C<2>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(CH3){1|N<3>}	112.9240	0.000	1	113.5287	0.409	3	112.6751	0.438	54	113.2978	1.364	104	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(CH3)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H){1|C<3>,1|N<3>}	S[5a](C[5a]C[5a]H)(C[5a]C[5a]N){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(CH3){1|N<3>}	113.8310	0.519	2	113.5287	0.409	3	112.6751	0.438	54	113.2978	1.364	104	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(CCHH)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]H)2{2|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(CCHH){1|H<1>}	112.3605	0.389	4	112.3605	0.151	4	112.6751	0.438	54	113.2978	1.364	104	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(CCo2C)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H){1|C<2>,1|H<1>}	S[5a](C[5a]C[5a]H)2{1|C<2>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(CCo2C){1|H<1>}	112.9420	0.000	1	112.9420	0.000	1	112.6751	0.438	54	113.2978	1.364	104	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(CHHS)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]H)2{2|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(CHHS){1|H<1>}	112.3010	0.083	2	112.3010	0.007	2	112.6751	0.438	54	113.2978	1.364	104	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]H)(CHHO)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]H)2{1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]H)(CHHO){1|H<1>,2|C<3>}	112.0750	0.579	10	112.0750	0.335	10	112.6751	0.438	54	113.2978	1.364	104	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CC3)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H){2|H<1>}	S[5a](C[5a]C[5a]H)2{1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CC3){1|H<1>}	112.6580	0.000	1	112.6580	0.000	1	112.6751	0.438	54	113.2978	1.364	104	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CCCH)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H){2|H<1>}	S[5a](C[5a]C[5a]H)2{1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CCCH){1|H<1>}	113.3425	0.261	2	113.3425	0.068	2	112.6751	0.438	54	113.2978	1.364	104	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CCHH)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H){2|H<1>}	S[5a](C[5a]C[5a]H)2{1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CCHH){1|H<1>}	112.4725	0.127	2	112.4725	0.016	2	112.6751	0.438	54	113.2978	1.364	104	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CCHN)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H){2|H<1>}	S[5a](C[5a]C[5a]H)2{1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CCHN){1|H<1>}	111.5250	0.000	1	111.5250	0.000	1	112.6751	0.438	54	113.2978	1.364	104	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CC[5]HH)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H){2|H<1>}	S[5a](C[5a]C[5a]H)2{1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CC[5]HH){1|H<1>}	111.9110	0.000	1	111.9110	0.000	1	112.6751	0.438	54	113.2978	1.364	104	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CC[6a]CH)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H){2|H<1>}	S[5a](C[5a]C[5a]H)2{1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CC[6a]CH){1|H<1>}	111.8670	0.000	1	111.8670	0.000	1	112.6751	0.438	54	113.2978	1.364	104	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CHHN)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H){2|H<1>}	S[5a](C[5a]C[5a]H)2{1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CHHN){1|H<1>}	112.2050	0.000	1	112.2050	0.000	1	112.6751	0.438	54	113.2978	1.364	104	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CN[6]HH)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H){2|H<1>}	S[5a](C[5a]C[5a]H)2{1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CN[6]HH){1|H<1>}	111.9630	0.000	1	111.9630	0.000	1	112.6751	0.438	54	113.2978	1.364	104	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]Sn)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CH3)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H){1|Sn<4>,1|H<1>}	S[5a](C[5a]C[5a]Sn)(C[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CH3){1|Sn<4>}	111.9770	0.000	1	111.9770	0.000	1	112.6751	0.438	54	113.2978	1.364	104	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5]-4:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(C[5]C[5]2C)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(H){2|H<1>,3|C<4>}	S[5a](C[5a]C[5a]H)2{1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(C[5]C[5]2C){1|C<4>,1|N<3>,5|H<1>}	112.4140	0.000	1	112.4140	0.000	1	112.4140	0.000	1	113.2978	1.364	104	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6]-4:	C[5a](C[5a]C[5a]C[6])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(C[6]C[6]2H)	C[5a](C[5a]C[5a]C[6])(S[5a]C[5a])(H){2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]H)2{1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(C[6]C[6]2H){1|H<1>,4|C<3>}	113.0870	0.000	1	112.8140	0.060	3	112.8140	0.060	3	113.2978	1.364	104	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6]-4:	C[5a](C[5a]C[5a]C[6])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(C[6]C[6]2H)	C[5a](C[5a]C[5a]C[6])(S[5a]C[5a])(H){2|C<4>,3|H<1>}	S[5a](C[5a]C[5a]H)2{1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(C[6]C[6]2H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	112.6775	0.095	2	112.8140	0.060	3	112.8140	0.060	3	113.2978	1.364	104	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a]P)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]P)(C[5a]S[5a]H)(PC[6a]2Cr)	C[5a](C[5a]C[5a]P)(S[5a]C[5a])(H){1|H<1>,1|P<4>}	S[5a](C[5a]C[5a]H)2{2|P<4>}	C[5a](C[5a]C[5a]P)(C[5a]S[5a]H)(PC[6a]2Cr){1|H<1>}	111.3470	0.000	1	111.3470	0.000	1	111.2390	0.064	3	113.2978	1.364	104	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a]P)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]P)(C[5a]S[5a]H)(PC[6a]2Cu)	C[5a](C[5a]C[5a]P)(S[5a]C[5a])(H){1|H<1>,1|P<4>}	S[5a](C[5a]C[5a]H)2{2|P<4>}	C[5a](C[5a]C[5a]P)(C[5a]S[5a]H)(PC[6a]2Cu){1|H<1>}	111.1850	0.332	2	111.1850	0.110	2	111.2390	0.064	3	113.2978	1.364	104	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:Si-4:	C[5a](C[5a]C[5a]Si)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]2)(C[5a]S[5a]H)(SiC[5a]CC)	C[5a](C[5a]C[5a]Si)(S[5a]C[5a])(H){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]H)2{1|Si<4>,1|C<3>}	C[5a](C[5a]C[5a]2)(C[5a]S[5a]H)(SiC[5a]CC){1|H<1>,2|C<3>}	113.2167	0.251	4	113.2167	0.063	4	113.2167	0.063	4	113.2978	1.364	104	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:4:2:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[4]-4:N[5a]-2:	C[5a](C[5a]N[5a]C[4])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]N[5a]N)	C[5a](C[5a]S[5a]H)(C[4]C[4]2H)(N[5a]C[5a])	C[5a](C[5a]N[5a]C[4])(S[5a]C[5a])(H){1|H<1>,1|N<3>,2|C<4>}	S[5a](C[5a]C[5a]H)(C[5a]N[5a]N){1|C<4>}	C[5a](C[5a]S[5a]H)(C[4]C[4]2H)(N[5a]C[5a]){1|C<4>,1|N<3>,4|H<1>}	111.0432	0.296	5	111.0432	0.088	5	111.0432	0.088	5	111.0432	0.088	5	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:4:3:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5])(S[5a]C[5a,6a])(H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]2Fe)(C[5a]S[5a]H)	C[5a](C[5a]C[5a,6a]C[5])(S[5a]C[5a,6a])(H){1|Fe<10>,2|C<3>,2|C<4>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]2Fe)(C[5a]S[5a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	114.0645	0.312	2	114.1458	0.210	5	113.9933	0.307	6	113.9933	0.307	6	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:4:3:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5])(S[5a]C[5a,6a])(H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]2Fe)(C[5a]S[5a]H)	C[5a](C[5a]C[5a,6a]C[5])(S[5a]C[5a,6a])(H){1|Fe<10>,2|C<3>,2|C<4>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]2Fe)(C[5a]S[5a]H){2|C<3>,2|C<4>,3|H<1>}	114.2000	0.600	3	114.1458	0.210	5	113.9933	0.307	6	113.9933	0.307	6	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	3:4:3:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5])(S[5a]C[5a,6a])(H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]S[5a]H)	C[5a](C[5a]C[5a,6a]C[5])(S[5a]C[5a,6a])(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]S[5a]H){2|C<4>,2|H<1>,3|C<3>}	113.2310	0.000	1	113.2310	0.000	1	113.9933	0.307	6	113.9933	0.307	6	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	4:3:2:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	B[5,5]-4:C[5a]-3:N[5a]-2:	C[5a](C[5a]B[5,5]N[5a])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)(C[5a]N[5a]N)	C[5a](B[5,5]N[5,5]O[5]2)(C[5a]S[5a]H)(N[5a]C[5a])	C[5a](C[5a]B[5,5]N[5a])(S[5a]C[5a])(H){1|N<3>,1|N<4>,2|O<2>}	S[5a](C[5a]C[5a]H)(C[5a]N[5a]N){1|B<4>}	C[5a](B[5,5]N[5,5]O[5]2)(C[5a]S[5a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,3|C<4>}	111.8620	0.229	2	111.8620	0.052	2	111.8620	0.052	2	111.8620	0.052	2	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	4:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	B[6]-4:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]B[6])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](B[6]N[5a,6]2C[5a])(C[5a]C[5a]H)(C[5a]S[5a]H)	C[5a](C[5a]C[5a]B[6])(S[5a]C[5a])(H){1|C<3>,2|H<1>,2|N<3>}	S[5a](C[5a]C[5a]H)2{1|B<4>,1|H<1>}	C[5a](B[6]N[5a,6]2C[5a])(C[5a]C[5a]H)(C[5a]S[5a]H){1|H<1>,6|C<3>}	111.7330	2.229	2	111.7330	4.968	2	111.7330	4.968	2	112.1216	0.895	8	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	4:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[4]-4:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[4])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[4]C[4,6]C[4]O)(C[5a]C[5a]H)(C[5a]S[5a]H)	C[5a](C[5a]C[5a]C[4])(S[5a]C[5a])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	S[5a](C[5a]C[5a]H)2{1|C<4>,1|H<1>}	C[5a](C[4]C[4,6]C[4]O)(C[5a]C[5a]H)(C[5a]S[5a]H){1|C<3>,1|C<4>,3|H<1>}	111.9340	0.000	1	111.9340	0.000	1	111.9340	0.000	1	112.1216	0.895	8	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	4:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(C[5a]S[5a]H)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(H){1|C<3>,1|C<4>,3|H<1>}	S[5a](C[5a]C[5a]H)2{1|C<4>,1|H<1>}	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(C[5a]S[5a]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	112.0070	0.000	1	112.0070	0.000	1	112.1000	0.017	2	112.1216	0.895	8	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	4:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[5]C[5,6a]O[5]H)(C[5a]C[5a]H)(C[5a]S[5a]H)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(H){1|C<3>,1|O<2>,3|H<1>}	S[5a](C[5a]C[5a]H)2{1|C<4>,1|H<1>}	C[5a](C[5]C[5,6a]O[5]H)(C[5a]C[5a]H)(C[5a]S[5a]H){1|H<1>,3|C<3>}	112.1930	0.000	1	112.1930	0.000	1	112.1000	0.017	2	112.1216	0.895	8	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	4:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[6]-4:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[6])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[6]C[5,5,6]C[6]H)(C[5a]C[5a]H)(C[5a]S[5a]H)	C[5a](C[5a]C[5a]C[6])(S[5a]C[5a])(H){2|C<4>,3|H<1>}	S[5a](C[5a]C[5a]H)2{1|C<4>,1|H<1>}	C[5a](C[6]C[5,5,6]C[6]H)(C[5a]C[5a]H)(C[5a]S[5a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	112.8290	0.000	1	112.8290	0.000	1	112.4577	0.303	3	112.1216	0.895	8	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	4:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[6]-4:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[6])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(C[5a]S[5a]H)	C[5a](C[5a]C[5a]C[6])(S[5a]C[5a])(H){1|C<4>,1|N<3>,3|H<1>}	S[5a](C[5a]C[5a]H)2{1|C<4>,1|H<1>}	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(C[5a]S[5a]H){1|N<3>,2|H<1>,3|C<3>}	111.8250	0.000	1	111.8250	0.000	1	112.4577	0.303	3	112.1216	0.895	8	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:1:	3:3:	4:3:3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[6]-4:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[6])(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]H)2	C[5a](C[6]C[6a]C[6]N[6])(C[5a]C[5a]H)(C[5a]S[5a]H)	C[5a](C[5a]C[5a]C[6])(S[5a]C[5a])(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	S[5a](C[5a]C[5a]H)2{1|C<4>,1|H<1>}	C[5a](C[6]C[6a]C[6]N[6])(C[5a]C[5a]H)(C[5a]S[5a]H){4|C<3>,4|H<1>}	112.7190	0.000	1	112.7190	0.000	1	112.4577	0.303	3	112.1216	0.895	8	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:2:	3:2:1:	C[5a]-3:S[5a]-2:N-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(S[5a]N[5a])(NC)	S[5a](C[5a]C[5a]N)(N[5a]N[5a])	C[5a](C[5a]S[5a]N)(N[5a]N[5a])(H)	C[5a](C[5a]N[5a]H)(S[5a]N[5a])(NC)	S[5a](C[5a]C[5a]N)(N[5a]N[5a]){1|H<1>}	C[5a](C[5a]S[5a]N)(N[5a]N[5a])(H)	106.4060	0.000	1	106.4060	0.000	1	106.4060	0.000	1	106.4060	0.000	1	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:2:	3:2:3:	C[5a]-3:S[5a]-2:S-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(S[5a]N[5a])(SC)	S[5a](C[5a]C[5a]S)(N[5a]N[5a])	C[5a](C[5a]S[5a]S)(N[5a]N[5a])(CC[6a]O)	C[5a](C[5a]N[5a]C)(S[5a]N[5a])(SC)	S[5a](C[5a]C[5a]S)(N[5a]N[5a]){1|C<3>}	C[5a](C[5a]S[5a]S)(N[5a]N[5a])(CC[6a]O)	107.5090	0.375	2	107.5090	0.140	2	107.3563	0.140	3	107.3563	0.140	3	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:2:	3:2:3:	C[5a]-3:S[5a]-2:S-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(S[5a]N[5a])(SC)	S[5a](C[5a]C[5a]S)(N[5a]N[5a])	C[5a](C[5a]S[5a]S)(N[5a]N[5a])(COO)	C[5a](C[5a]N[5a]C)(S[5a]N[5a])(SC)	S[5a](C[5a]C[5a]S)(N[5a]N[5a]){1|C<3>}	C[5a](C[5a]S[5a]S)(N[5a]N[5a])(COO)	107.0510	0.000	1	107.0510	0.000	1	107.3563	0.140	3	107.3563	0.140	3	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:2:	3:3:1:	C[5a]-3:S[5a]-2:S-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]N[5a])(SC)	S[5a](C[5a]C[5a]S)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(C[5a]S[5a]S)(H)	C[5a](C[5a]C[5a]H)(S[5a]N[5a])(SC){1|C<3>}	S[5a](C[5a]C[5a]S)(N[5a]C[5a]){1|C<3>,1|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]S[5a]S)(H){2|C<3>}	108.0990	0.000	1	108.0990	0.000	1	108.0990	0.000	1	108.0990	0.000	1	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:2:	3:3:2:	C[5a]-3:S[5a]-2:S-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(S[5a]N[5a])(SC)	S[5a](C[5a]C[5a]S)(N[5a]C[5a])	C[5a](C[5a]N[5a]S)(C[5a]S[5a]S)(CN)	C[5a](C[5a]C[5a]C)(S[5a]N[5a])(SC){1|S<2>}	S[5a](C[5a]C[5a]S)(N[5a]C[5a]){1|C<2>,1|S<2>}	C[5a](C[5a]N[5a]S)(C[5a]S[5a]S)(CN)	108.6410	0.000	1	108.6410	0.000	1	108.6410	0.000	1	108.6410	0.000	1	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:2:1:	C[5a]-3:S[5a]-2:C-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CW)	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CW){1|C<3>}	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H){1|C<3>}	108.0180	0.000	1	108.0180	0.000	1	108.2195	0.081	2	108.9550	0.798	4	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:2:1:	C[5a]-3:S[5a]-2:C-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CW)	S[5a](C[5a]N[5a]N[6])(C[5a]C[5a]C)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CW){1|N<3>}	S[5a](C[5a]N[5a]N[6])(C[5a]C[5a]C){1|H<1>,2|C<4>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H){1|N<3>}	108.4210	0.000	1	108.4210	0.000	1	108.2195	0.081	2	108.9550	0.798	4	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:2:1:	C[5a]-3:S[5a]-2:N-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(NN)	S[5a](C[5a]N[5a]N[5])(C[5a]C[5a]N)	C[5a](C[5a]S[5a]N)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(NN){1|N<3>}	S[5a](C[5a]N[5a]N[5])(C[5a]C[5a]N){1|H<1>,2|C<4>}	C[5a](C[5a]S[5a]N)(N[5a]C[5a])(H){1|N<3>}	109.6905	0.387	2	109.6905	0.150	2	109.6905	0.150	2	108.9550	0.798	4	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:2:2:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a,5a])(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a,5a])(S[5a]C[5a,5a])	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a,5a])(S[5a]C[5a,5a]){1|N<3>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]N[5a]){1|C<3>,1|N<2>,1|N<3>,2|S<2>}	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a,5a])(S[5a]C[5a,5a]){1|N<3>,3|C<3>}	120.4490	0.000	1	120.4490	0.000	1	120.4490	0.000	1	116.7973	8.559	60	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:2:2:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a,6a])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a,6a])(S[5a]C[5a,6a])	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a,6a])(S[5a]C[5a,6a]){4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a,6a])(S[5a]C[5a,6a]){4|C<3>}	119.5520	0.000	1	119.5520	0.000	1	119.5520	0.000	1	116.7973	8.559	60	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:2:2:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a])	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]Br)	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a]){1|Br<1>,1|C<4>,2|C<3>}	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]Br){1|C<4>,1|N<2>,1|S<2>}	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a]){1|Br<1>,1|C<4>,2|C<3>}	120.7440	0.000	1	120.7645	0.001	2	121.1364	0.432	8	116.7973	8.559	60	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:2:2:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a])	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]Br)	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a]){1|Br<1>,3|C<3>}	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]Br){1|C<3>,1|N<2>,1|S<2>}	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a]){1|Br<1>,3|C<3>}	120.7850	0.000	1	120.7645	0.001	2	121.1364	0.432	8	116.7973	8.559	60	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:2:2:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a])	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,3|C<3>}	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C){1|C<4>,1|N<2>,1|S<2>}	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,3|C<3>}	121.3390	0.000	1	121.3390	0.000	1	121.1364	0.432	8	116.7973	8.559	60	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:2:2:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a])	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H){1|C<4>,1|N<2>,1|S<2>}	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	121.1190	0.000	1	121.1090	0.000	3	121.1364	0.432	8	116.7973	8.559	60	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:2:2:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a])	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a]){1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H){1|C<3>,1|N<2>,1|S<2>}	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a]){1|H<1>,3|C<3>}	121.1040	0.020	2	121.1090	0.000	3	121.1364	0.432	8	116.7973	8.559	60	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:2:2:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a])	S[5a](C[5a]C[5a]N[5a])2	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>}	S[5a](C[5a]C[5a]N[5a])2{1|C<4>,1|N<2>,1|S<2>,2|C<3>}	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>}	120.3280	0.000	1	120.3280	0.000	1	121.1364	0.432	8	116.7973	8.559	60	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:2:2:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a](C[5a]N[5a]S[5a])(N[5a]N[5a])(S[5a]C[5a])	S[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)	C[5a](C[5a]N[5a]S[5a])(N[5a]N[5a])(S[5a]C[5a])	C[5a](C[5a]N[5a]S[5a])(N[5a]N[5a])(S[5a]C[5a]){1|C<3>,1|N<2>,1|N<3>}	S[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N){1|N<2>,1|S<2>}	C[5a](C[5a]N[5a]S[5a])(N[5a]N[5a])(S[5a]C[5a]){1|C<3>,1|N<2>,1|N<3>}	122.5680	0.000	1	122.5680	0.000	1	121.1364	0.432	8	116.7973	8.559	60	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:2:2:	C[5a]-3:S[5a]-2:N-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:S-2:	C[5a](C[5a]N[5a]S)(S[5a]C[5a])(NC)	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)	C[5a](C[5a]S[5a]N)(N[5a]C[5a])(SS)	C[5a](C[5a]N[5a]S)(S[5a]C[5a])(NC){1|C<3>}	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N){1|S<2>,2|C<3>}	C[5a](C[5a]S[5a]N)(N[5a]C[5a])(SS){1|C<3>}	109.4600	0.000	1	109.4600	0.000	1	109.4600	0.000	1	116.7973	8.559	60	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:2:2:	C[5a]-3:S[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:S-2:	C[5a](C[5a]N[5a]S)(S[5a]C[5a])(SAu)	S[5a](C[5a]C[5a]S)(C[5a]N[5a]S)	C[5a](C[5a]S[5a]S)(N[5a]C[5a])(SAu)	C[5a](C[5a]N[5a]S)(S[5a]C[5a])(SAu){1|S<2>}	S[5a](C[5a]C[5a]S)(C[5a]N[5a]S){1|S<2>}	C[5a](C[5a]S[5a]S)(N[5a]C[5a])(SAu){1|S<2>}	109.4215	0.235	2	109.4215	0.055	2	109.5224	0.053	5	116.7973	8.559	60	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:2:2:	C[5a]-3:S[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:S-2:	C[5a](C[5a]N[5a]S)(S[5a]C[5a])(SNi)	S[5a](C[5a]C[5a]S)(C[5a]N[5a]S)	C[5a](C[5a]S[5a]S)(N[5a]C[5a])(SNi)	C[5a](C[5a]N[5a]S)(S[5a]C[5a])(SNi){1|S<2>}	S[5a](C[5a]C[5a]S)(C[5a]N[5a]S){1|S<2>}	C[5a](C[5a]S[5a]S)(N[5a]C[5a])(SNi){1|S<2>}	109.5897	0.248	3	109.5897	0.061	3	109.5224	0.053	5	116.7973	8.559	60	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:2:2:	C[5a]-3:S[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:S-2:	C[5a](C[5a]S[5a]S)(S[5a]C[5a])(SC)	S[5a](C[5a]C[5a]S)(C[5a]S[5a]O)	C[5a](C[5a]S[5a]S)(S[5a]C[5a])(SC)	C[5a](C[5a]S[5a]S)(S[5a]C[5a])(SC){1|O<1>}	S[5a](C[5a]C[5a]S)(C[5a]S[5a]O){1|S<2>}	C[5a](C[5a]S[5a]S)(S[5a]C[5a])(SC){1|O<1>}	117.0590	0.625	10	117.0590	0.390	10	116.8563	0.270	44	116.7973	8.559	60	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:2:2:	C[5a]-3:S[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:S-2:	C[5a](C[5a]S[5a]S)(S[5a]C[5a])(SC[6a])	S[5a](C[5a]C[5a]S)(C[5a]S[5a]O)	C[5a](C[5a]S[5a]S)(S[5a]C[5a])(SC[6a])	C[5a](C[5a]S[5a]S)(S[5a]C[5a])(SC[6a]){1|O<1>}	S[5a](C[5a]C[5a]S)(C[5a]S[5a]O){1|S<2>}	C[5a](C[5a]S[5a]S)(S[5a]C[5a])(SC[6a]){1|O<1>}	117.1575	0.318	8	117.1575	0.101	8	116.8563	0.270	44	116.7973	8.559	60	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:2:2:	C[5a]-3:S[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:S-2:	C[5a](C[5a]S[5a]S)(S[5a]C[5a])(SPd)	S[5a](C[5a]C[5a]S)(C[5a]S[5a]O)	C[5a](C[5a]S[5a]S)(S[5a]C[5a])(SPd)	C[5a](C[5a]S[5a]S)(S[5a]C[5a])(SPd){1|O<1>}	S[5a](C[5a]C[5a]S)(C[5a]S[5a]O){1|S<2>}	C[5a](C[5a]S[5a]S)(S[5a]C[5a])(SPd){1|O<1>}	117.2790	0.516	2	117.2790	0.266	2	116.8563	0.270	44	116.7973	8.559	60	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:2:2:	C[5a]-3:S[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:S-2:	C[5a](C[5a]S[5a]S)(S[5a]C[5a])(SSb)	S[5a](C[5a]C[5a]S)(C[5a]S[5a]O)	C[5a](C[5a]S[5a]S)(S[5a]C[5a])(SSb)	C[5a](C[5a]S[5a]S)(S[5a]C[5a])(SSb){1|O<1>}	S[5a](C[5a]C[5a]S)(C[5a]S[5a]O){1|S<2>}	C[5a](C[5a]S[5a]S)(S[5a]C[5a])(SSb){1|O<1>}	116.7043	0.062	4	116.7043	0.004	4	116.8563	0.270	44	116.7973	8.559	60	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:2:2:	C[5a]-3:S[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:S-2:	C[5a](C[5a]S[5a]S)(S[5a]C[5a])(SSn)	S[5a](C[5a]C[5a]S)(C[5a]S[5a]O)	C[5a](C[5a]S[5a]S)(S[5a]C[5a])(SSn)	C[5a](C[5a]S[5a]S)(S[5a]C[5a])(SSn){1|O<1>}	S[5a](C[5a]C[5a]S)(C[5a]S[5a]O){1|S<2>}	C[5a](C[5a]S[5a]S)(S[5a]C[5a])(SSn){1|O<1>}	116.7542	0.473	12	116.7542	0.224	12	116.8563	0.270	44	116.7973	8.559	60	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:2:2:	C[5a]-3:S[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:S-2:	C[5a](C[5a]S[5a]S)(S[5a]C[5a])(SZn)	S[5a](C[5a]C[5a]S)(C[5a]S[5a]O)	C[5a](C[5a]S[5a]S)(S[5a]C[5a])(SZn)	C[5a](C[5a]S[5a]S)(S[5a]C[5a])(SZn){1|O<1>}	S[5a](C[5a]C[5a]S)(C[5a]S[5a]O){1|S<2>}	C[5a](C[5a]S[5a]S)(S[5a]C[5a])(SZn){1|O<1>}	116.4250	0.456	8	116.4250	0.208	8	116.8563	0.270	44	116.7973	8.559	60	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:2:3:	C[5a]-3:S[5a]-2:O-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[5]-3:	C[5a](C[5a]N[5a]C[5])(S[5a]C[5a])(OC)	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]O)	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){1|C<4>,2|C<3>}	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]O){3|C<3>}	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>}	110.6055	0.137	4	110.6055	0.019	4	110.6055	0.019	4	110.6055	0.019	4	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:2:4:	C[5a]-3:S[5a]-2:N-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(NN)	S[5a](C[5a]C[5a]N)(C[5a]N[5a]N)	C[5a](C[5a]S[5a]N)(N[5a]C[5a])(CH3)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(NN){1|N<2>}	S[5a](C[5a]C[5a]N)(C[5a]N[5a]N){1|C<4>}	C[5a](C[5a]S[5a]N)(N[5a]C[5a])(CH3){1|N<2>}	109.3530	0.190	2	109.3530	0.036	2	109.9867	1.223	3	114.7940	20.715	7	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:2:4:	C[5a]-3:S[5a]-2:N-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(NN)	S[5a](C[5a]N[5a]N[5])(C[5a]C[5a]N)	C[5a](C[5a]S[5a]N)(N[5a]C[5a])(CH3)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(NN){1|N<3>}	S[5a](C[5a]N[5a]N[5])(C[5a]C[5a]N){1|N<2>,2|C<4>}	C[5a](C[5a]S[5a]N)(N[5a]C[5a])(CH3){1|N<3>}	111.2540	0.000	1	111.2540	0.000	1	109.9867	1.223	3	114.7940	20.715	7	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:2:4:	C[5a]-3:S[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5a]S[5a]C)(S[5a]C[5a])(SS)	S[5a](C[5a]C[5a]S)(C[5a]S[5a]O)	C[5a](C[5a]S[5a]S)(S[5a]C[5a])(CH3)	C[5a](C[5a]S[5a]C)(S[5a]C[5a])(SS){1|O<1>}	S[5a](C[5a]C[5a]S)(C[5a]S[5a]O){1|C<4>}	C[5a](C[5a]S[5a]S)(S[5a]C[5a])(CH3){1|O<1>}	118.3540	0.373	2	118.3540	0.139	2	118.3540	0.139	2	114.7940	20.715	7	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:2:4:	C[5a]-3:S[5a]-2:Se-2:	C[5a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5a]S[5a]C)(S[5a]C[5a])(SeSe)	S[5a](C[5a]C[5a]Se)(C[5a]S[5a]O)	C[5a](C[5a]S[5a]Se)(S[5a]C[5a])(CH3)	C[5a](C[5a]S[5a]C)(S[5a]C[5a])(SeSe){1|O<1>}	S[5a](C[5a]C[5a]Se)(C[5a]S[5a]O){1|C<4>}	C[5a](C[5a]S[5a]Se)(S[5a]C[5a])(CH3){1|O<1>}	118.4450	0.608	2	118.4450	0.370	2	118.4450	0.370	2	114.7940	20.715	7	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CC)	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]C)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CC){1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]C){1|C<3>,1|H<1>,2|S<2>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(H){2|C<3>}	111.9810	0.000	1	111.9810	0.000	1	113.1655	2.806	2	111.2988	2.217	115	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CC)	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CC){1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(H){2|C<3>}	114.3500	0.000	1	114.3500	0.000	1	113.1655	2.806	2	111.2988	2.217	115	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CC)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CC){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]S[5a]C)(H){3|C<3>}	111.4300	0.000	1	111.4300	0.000	1	113.3595	1.699	4	111.2988	2.217	115	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CC)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CC){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H){1|N<3>,2|C<3>}	113.7780	0.000	1	113.7780	0.000	1	113.3595	1.699	4	111.2988	2.217	115	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CN)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CN){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<2>,1|H<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]C)(H){3|C<3>}	114.1150	0.238	2	114.1150	0.056	2	113.3595	1.699	4	111.2988	2.217	115	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]B)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC){1|B<4>,1|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|B<4>,1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]B)(C[5a]S[5a]C)(H){1|C<3>}	110.5070	0.222	2	110.5070	0.049	2	110.5365	0.952	51	111.2988	2.217	115	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	110.6276	0.664	7	110.7216	0.448	8	110.5365	0.952	51	111.2988	2.217	115	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|N<2>,1|O<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	111.3800	0.000	1	110.7216	0.448	8	110.5365	0.952	51	111.2988	2.217	115	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]P)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC){1|C<3>,1|P<4>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|H<1>,1|P<4>,1|S<2>}	C[5a](C[5a]C[5a]P)(C[5a]S[5a]C)(H){1|C<3>}	111.0025	0.074	2	111.0025	0.006	2	110.5365	0.952	51	111.2988	2.217	115	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC)	S[5a](C[5a]C[5a]B)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC){1|B<3>,1|H<1>}	S[5a](C[5a]C[5a]B)(C[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|B<3>}	111.3030	0.000	1	110.0816	0.494	5	110.5365	0.952	51	111.2988	2.217	115	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC)	S[5a](C[5a]C[5a]B)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC){1|B<4>,1|H<1>}	S[5a](C[5a]C[5a]B)(C[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|B<4>}	109.7763	0.191	4	110.0816	0.494	5	110.5365	0.952	51	111.2988	2.217	115	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC)	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC){1|Br<1>,1|H<1>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|Br<1>}	109.5670	0.000	1	109.5670	0.000	1	110.5365	0.952	51	111.2988	2.217	115	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	113.0550	0.000	1	113.0550	0.000	1	110.5365	0.952	51	111.2988	2.217	115	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC){1|C<3>,1|C<4>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H){1|C<3>,2|C<4>}	109.9180	0.512	4	109.9180	0.263	4	110.5365	0.952	51	111.2988	2.217	115	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC){1|C<2>,1|H<1>}	S[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<2>}	110.2879	0.962	18	110.2938	0.799	24	110.5365	0.952	51	111.2988	2.217	115	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	110.2947	0.936	4	110.2938	0.799	24	110.5365	0.952	51	111.2988	2.217	115	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<4>}	110.3445	0.047	2	110.2938	0.799	24	110.5365	0.952	51	111.2988	2.217	115	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CN)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CN){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	112.2390	0.000	1	112.2390	0.000	1	110.5365	0.952	51	111.2988	2.217	115	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CN)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]O)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CN){1|H<1>,1|O<2>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|H<1>,1|O<2>}	C[5a](C[5a]C[5a]O)(C[5a]S[5a]C)(H){1|H<1>}	112.3760	0.000	1	112.3760	0.000	1	110.5365	0.952	51	111.2988	2.217	115	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CN)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CN){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	111.8800	0.000	1	111.8800	0.000	1	110.5365	0.952	51	111.2988	2.217	115	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CN)	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CN){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	112.3240	0.000	1	112.3240	0.000	1	110.5365	0.952	51	111.2988	2.217	115	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:I-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(IC[6a])	S[5a](C[5a]C[5a]H)(C[5a]C[5a]I)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]I)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(IC[6a]){2|H<1>}	S[5a](C[5a]C[5a]H)(C[5a]C[5a]I){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]I)(H){1|H<1>}	113.6160	0.000	1	113.6160	0.000	1	113.6160	0.000	1	111.2988	2.217	115	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:N-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(NC)	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(NC){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]N){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(H){1|C<3>}	110.4080	0.000	1	110.4080	0.000	1	110.4080	0.000	1	111.2988	2.217	115	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:O-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(OC)	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]O)(H)	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(OC){2|C<4>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]O){2|C<4>,3|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]O)(H){1|C<4>,1|N<3>,2|H<1>}	112.8267	0.063	3	112.8267	0.004	3	112.8267	0.004	3	111.2988	2.217	115	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:O-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(OC)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]O)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]O)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(OC){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]O){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]O)(H){1|C<4>}	111.9760	0.000	1	111.9760	0.000	1	112.6057	0.129	6	111.2988	2.217	115	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:O-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(OC)	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]O)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]O)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(OC){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]O){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]O)(H){1|C<3>}	112.7233	0.153	3	112.7233	0.023	3	112.6057	0.129	6	111.2988	2.217	115	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:O-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(OC)	S[5a](C[5a]C[5a]H)(C[5a]C[5a]O)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]O)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(OC){2|H<1>}	S[5a](C[5a]C[5a]H)(C[5a]C[5a]O){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]O)(H){1|H<1>}	112.9890	0.000	1	112.9890	0.000	1	112.6057	0.129	6	111.2988	2.217	115	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:O-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(OC)	S[5a](C[5a]C[5a]O)(C[5a]C[5a]S)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]O)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(OC){1|H<1>,1|S<2>}	S[5a](C[5a]C[5a]O)(C[5a]C[5a]S){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]O)(H){1|S<2>}	112.4990	0.000	1	112.4990	0.000	1	112.6057	0.129	6	111.2988	2.217	115	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:P-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PC[6a])	S[5a](C[5a]C[5a]C)(C[5a]C[5a]P)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PC[6a]){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]P){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(H){1|C<3>}	108.7600	0.000	1	108.7600	0.000	1	108.7600	0.000	1	111.2988	2.217	115	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:S-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(SC)	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]S)	C[5a](C[5,5a]C[5,5a]C[5,5])(C[5a]S[5a]S)(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(SC){1|C<3>,1|C<4>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]S){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5a](C[5,5a]C[5,5a]C[5,5])(C[5a]S[5a]S)(H){2|C<3>,2|O<2>}	111.7240	0.000	1	111.7240	0.000	1	111.6857	2.311	4	111.2988	2.217	115	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:S-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(SC)	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]S)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]S)(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(SC){2|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]S){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]S)(H){3|C<3>}	112.0875	2.429	2	112.0875	5.900	2	111.6857	2.311	4	111.2988	2.217	115	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:S-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(SC)	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]S)	C[5a](C[5,5a]C[5,5a]Si[5])(C[5a]S[5a]S)(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(SC){1|Si<4>,1|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]S){1|Si<4>,1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5,5a]C[5,5a]Si[5])(C[5a]S[5a]S)(H){4|C<3>}	110.8440	0.000	1	110.8440	0.000	1	111.6857	2.311	4	111.2988	2.217	115	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:S-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(SC)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]S)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(SC){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S){2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]S)(H){1|H<1>,2|C<3>}	115.9463	2.907	3	115.9463	8.452	3	115.9463	8.452	3	111.2988	2.217	115	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(SC)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]S)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]S)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(SC){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]S){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]S)(H){1|C<3>}	111.1278	0.498	26	111.1278	0.248	26	111.2342	0.627	33	111.2988	2.217	115	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(SC)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]S)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]S)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(SC){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]S){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]S)(H){1|C<3>}	110.8770	0.000	1	110.8770	0.000	1	111.2342	0.627	33	111.2988	2.217	115	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(SC[5a])	S[5a](C[5a]C[5a]H)(C[5a]C[5a]S)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]S)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(SC[5a]){2|H<1>}	S[5a](C[5a]C[5a]H)(C[5a]C[5a]S){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]S)(H){1|H<1>}	113.0340	0.929	2	113.0340	0.863	2	111.2342	0.627	33	111.2988	2.217	115	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(SC[6a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]S)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]S)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(SC[6a]){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]S){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]S)(H){1|C<4>}	112.7920	0.000	1	112.7920	0.000	1	111.2342	0.627	33	111.2988	2.217	115	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(SC[6a])	S[5a](C[5a]C[5a]O)(C[5a]C[5a]S)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]S)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(SC[6a]){1|H<1>,1|O<2>}	S[5a](C[5a]C[5a]O)(C[5a]C[5a]S){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]S)(H){1|O<2>}	111.7710	0.000	1	111.7710	0.000	1	111.2342	0.627	33	111.2988	2.217	115	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(SFe)	S[5a](C[5a]C[5a]H)(C[5a]C[5a]S)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]S)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(SFe){2|H<1>}	S[5a](C[5a]C[5a]H)(C[5a]C[5a]S){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]S)(H){1|H<1>}	109.7560	0.000	1	109.7560	0.000	1	111.2342	0.627	33	111.2988	2.217	115	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(SNi)	S[5a](C[5a]C[5a]H)(C[5a]C[5a]S)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]S)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(SNi){2|H<1>}	S[5a](C[5a]C[5a]H)(C[5a]C[5a]S){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]S)(H){1|H<1>}	110.1410	0.000	1	110.1410	0.000	1	111.2342	0.627	33	111.2988	2.217	115	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Se-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(SeC[5])	S[5a](C[5a]C[5a]Se)(C[5a]C[5a]H)	C[5a](C[5a]S[5a]Se)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(SeC[5]){2|H<1>}	S[5a](C[5a]C[5a]Se)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]S[5a]Se)(C[5a]C[5a]H)(H){1|H<1>}	112.3355	0.988	2	112.3355	0.976	2	111.6700	0.574	6	111.2988	2.217	115	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Se-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(SeC[5a])	S[5a](C[5a]C[5a]Se)2	C[5a](C[5a]S[5a]Se)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(SeC[5a]){1|Se<2>,1|H<1>}	S[5a](C[5a]C[5a]Se)2{2|H<1>}	C[5a](C[5a]S[5a]Se)(C[5a]C[5a]H)(H){1|Se<2>}	111.3372	0.434	4	111.3372	0.189	4	111.6700	0.574	6	111.2988	2.217	115	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:C-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(CC)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CC)	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(CC){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<2>,1|H<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CC){1|H<1>,2|C<3>}	112.8850	0.000	1	112.8850	0.000	1	112.8850	0.000	1	110.7186	0.894	43	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:C-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CC)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CC)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CC){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<2>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CC){1|H<1>}	111.4063	0.204	3	111.4063	0.041	3	111.4030	0.028	4	110.7186	0.894	43	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:C-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CN)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CN)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CN){1|C<3>,1|N<3>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<2>,1|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CN){1|N<3>}	111.3930	0.000	1	111.3930	0.000	1	111.4030	0.028	4	110.7186	0.894	43	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:N-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a,6]C)(S[5a]C[5a,6])(NC)	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]N)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]N)(CN)	C[5a](C[5a]C[5a,6]C)(S[5a]C[5a,6])(NC){2|C<4>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]N){1|C<2>,2|C<4>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]N)(CN){2|C<4>,2|H<1>}	109.9976	0.396	9	109.9976	0.156	9	109.9205	0.231	11	110.7186	0.894	43	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:N-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a,6]C)(S[5a]C[5a,6])(NH)	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]N)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]N)(CN)	C[5a](C[5a]C[5a,6]C)(S[5a]C[5a,6])(NH){2|C<4>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]N){1|C<2>,2|C<4>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]N)(CN){2|C<4>,2|H<1>}	110.1900	0.000	1	110.1900	0.000	1	109.9205	0.231	11	110.7186	0.894	43	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:N-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a,6]C)(S[5a]C[5a,6])(NP)	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]N)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]N)(CN)	C[5a](C[5a]C[5a,6]C)(S[5a]C[5a,6])(NP){2|C<4>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]N){1|C<2>,1|C<4>,1|N<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]N)(CN){2|C<4>,2|H<1>}	108.9570	0.000	1	108.9570	0.000	1	109.9205	0.231	11	110.7186	0.894	43	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:N-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:N-2:	C[5a](C[5a]C[5a,6a]N)(S[5a]C[5a,6a])(NC[6])	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)(NC[6a])	C[5a](C[5a]C[5a,6a]N)(S[5a]C[5a,6a])(NC[6]){1|C<3>,1|N<2>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N){1|N<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)(NC[6a]){1|C<3>,1|H<1>,1|N<2>}	109.9950	0.000	1	109.9950	0.000	1	109.9950	0.000	1	110.7186	0.894	43	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:N-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(CN)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC){2|C<4>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<2>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(CN){1|C<4>}	109.9280	0.257	3	109.9280	0.066	3	110.0343	0.618	8	110.7186	0.894	43	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:N-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(CN)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<2>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(CN){1|C<3>}	109.1700	0.198	2	109.1700	0.039	2	110.0343	0.618	8	110.7186	0.894	43	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:N-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC)	S[5a](C[5a]C[5a]H)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(CN)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC){2|H<1>}	S[5a](C[5a]C[5a]H)(C[5a]C[5a]N){1|C<2>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(CN){1|H<1>}	109.9750	0.000	1	109.9750	0.000	1	110.0343	0.618	8	110.7186	0.894	43	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:N-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC[6a])	S[5a](C[5a]C[5a]H)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(CN)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC[6a]){2|H<1>}	S[5a](C[5a]C[5a]H)(C[5a]C[5a]N){1|C<2>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(CN){1|H<1>}	110.6370	0.000	1	110.6370	0.000	1	110.0343	0.618	8	110.7186	0.894	43	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:N-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NN)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]Cl)(C[5a]S[5a]N)(CN)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NN){1|Cl<1>,1|C<3>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|Cl<1>,1|C<2>}	C[5a](C[5a]C[5a]Cl)(C[5a]S[5a]N)(CN){1|C<3>}	111.5380	0.000	1	111.5380	0.000	1	110.0343	0.618	8	110.7186	0.894	43	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:N-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(S[5a]N[5a])(NC[6a])	S[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	C[5a](C[5a]N[5a]O)(C[5a]S[5a]N)(CN)	C[5a](C[5a]C[5a]C)(S[5a]N[5a])(NC[6a]){1|C<4>,1|O<1>}	S[5a](C[5a]C[5a]N)(N[5a]C[5a]C){1|C<2>,1|O<1>}	C[5a](C[5a]N[5a]O)(C[5a]S[5a]N)(CN){1|C<4>}	110.8350	0.000	1	110.8350	0.000	1	110.8350	0.000	1	110.7186	0.894	43	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:O-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]N[5a])(S[5a]C[5a])(OC)	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]O)	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]S[5a]O)(N[5a]C[5a])	C[5a](C[5a]C[5a]N[5a])(S[5a]C[5a])(OC){3|C<3>}	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]O){3|C<3>}	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]S[5a]O)(N[5a]C[5a]){1|S<2>,4|C<3>}	110.9810	0.000	1	110.9810	0.000	1	110.9810	0.000	1	110.7186	0.894	43	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:S-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a,6a]S)(S[5a]C[5a,6a])(SC)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]S)(SC)	C[5a](C[5a]C[5a,6a]S)(S[5a]C[5a,6a])(SC){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S){2|C<3>,2|S<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]S)(SC){1|H<1>,2|C<3>}	111.5520	0.000	1	111.5520	0.000	1	111.5520	0.000	1	110.7186	0.894	43	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(SC)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]S)	C[5a](C[5a]C[5a]Br)(C[5a]S[5a]S)(CN)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(SC){1|Br<1>,1|C<3>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]S){1|Br<1>,1|C<2>}	C[5a](C[5a]C[5a]Br)(C[5a]S[5a]S)(CN){1|C<3>}	111.0870	0.000	1	111.0870	0.000	1	111.5197	0.160	3	110.7186	0.894	43	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(SC)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]S)	C[5a](C[5a]C[5a]N)(C[5a]S[5a]S)(CN)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(SC){1|C<3>,1|N<3>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]S){1|C<2>,1|N<3>}	C[5a](C[5a]C[5a]N)(C[5a]S[5a]S)(CN){1|C<3>}	111.7360	0.197	2	111.7360	0.039	2	111.5197	0.160	3	110.7186	0.894	43	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a]S)(S[5a]C[5a])(SAu)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]S)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]S)(SAu)	C[5a](C[5a]C[5a]S)(S[5a]C[5a])(SAu){2|C<4>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]S){1|C<4>,1|S<2>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]S)(SAu){1|C<4>}	110.8260	0.745	5	110.8260	0.555	5	111.2842	0.639	11	110.7186	0.894	43	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a]S)(S[5a]C[5a])(SNi)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]S)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]S)(SNi)	C[5a](C[5a]C[5a]S)(S[5a]C[5a])(SNi){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]S){1|C<3>,1|H<1>,2|S<2>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]S)(SNi){1|C<3>}	111.2745	0.704	2	111.2745	0.495	2	111.2842	0.639	11	110.7186	0.894	43	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a]S)(S[5a]C[5a])(SNi)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]S)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]S)(SNi)	C[5a](C[5a]C[5a]S)(S[5a]C[5a])(SNi){2|C<4>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]S){1|C<4>,1|S<2>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]S)(SNi){1|C<4>}	111.4735	0.231	2	111.4735	0.053	2	111.2842	0.639	11	110.7186	0.894	43	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a]S)(S[5a]C[5a])(SNi)	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]S)(SNi)	C[5a](C[5a]C[5a]S)(S[5a]C[5a])(SNi){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]S)(SNi){1|C<3>}	112.2500	0.798	2	112.2500	0.636	2	111.2842	0.639	11	110.7186	0.894	43	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:S-2:	C[5a](C[5a]N[5a]S)(S[5a]C[5a])(SAu)	S[5a](C[5a]C[5a]S)(C[5a]N[5a]O)	C[5a](C[5a]S[5a]S)(N[5a]C[5a]C)(SAu)	C[5a](C[5a]N[5a]S)(S[5a]C[5a])(SAu){1|C<4>,1|O<1>}	S[5a](C[5a]C[5a]S)(C[5a]N[5a]O){1|C<4>,1|S<2>}	C[5a](C[5a]S[5a]S)(N[5a]C[5a]C)(SAu){1|O<1>}	110.9550	0.000	1	110.9550	0.000	1	110.9550	0.000	1	110.7186	0.894	43	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a,6a]N)(S[5a]C[5a,6a])(CN)	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(NHH)	C[5a](C[5a]C[5a,6a]N)(S[5a]C[5a,6a])(CN){1|C<3>,1|N<2>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C){1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(NHH){1|C<3>,1|C<4>,1|N<2>}	114.1310	0.000	1	114.0950	0.021	3	114.0950	0.021	3	111.3654	1.320	97	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a,6a]N)(S[5a]C[5a,6a])(CN)	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(NHH)	C[5a](C[5a]C[5a,6a]N)(S[5a]C[5a,6a])(CN){1|C<3>,1|N<2>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C){1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(NHH){1|N<2>,2|C<3>}	114.0770	0.198	2	114.0950	0.021	3	114.0950	0.021	3	111.3654	1.320	97	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CC)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CC[6a]O)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CC){2|C<4>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CC[6a]O){1|C<4>}	110.8060	0.000	1	110.8060	0.000	1	110.8060	0.000	1	111.3654	1.320	97	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CC)	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	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){1|C<4>,1|H<1>,2|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	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>}	110.7747	0.234	3	110.7747	0.055	3	110.7747	0.055	3	111.3654	1.320	97	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(CC)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(CC){1|C<3>,1|S<2>,2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(C[5a]S[5a]C){2|C<3>,2|H<1>}	110.5653	0.310	4	110.5653	0.096	4	110.6274	0.071	8	111.3654	1.320	97	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(CC)	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(CC){1|Si<4>,1|H<1>,2|C<3>}	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(C[5a]S[5a]C){1|Si<4>,1|C<2>,1|C<3>,1|H<1>,1|S<2>}	110.6895	0.243	4	110.6895	0.059	4	110.6274	0.071	8	111.3654	1.320	97	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CC)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CC){4|C<3>}	S[5a](C[5a]C[5a]C)2{2|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(C[6a]C[6a]2){2|H<1>,3|C<3>}	111.8200	0.000	1	111.8200	0.000	1	112.1090	0.104	3	111.3654	1.320	97	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CC)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CC){1|C<2>,3|C<3>}	S[5a](C[5a]C[5a]C)2{2|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(C[6a]C[6a]2){1|C<2>,2|H<1>,4|C<3>}	112.2535	0.289	2	112.2535	0.084	2	112.1090	0.104	3	111.3654	1.320	97	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(S[5a]C[5a])(CC)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]N)(C[5a]S[5a]C)(NOO)	C[5a](C[5a]C[5a]N)(S[5a]C[5a])(CC){1|C<2>,1|N<3>}	S[5a](C[5a]C[5a]C)2{2|N<3>}	C[5a](C[5a]C[5a]N)(C[5a]S[5a]C)(NOO){1|C<2>}	110.2395	0.100	2	110.2395	0.010	2	111.3407	1.674	4	111.3654	1.320	97	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(S[5a]C[5a])(CN)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]2)(C[5a]S[5a]C)(NHH)	C[5a](C[5a]C[5a]N)(S[5a]C[5a])(CN){1|C<3>,1|N<3>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<3>,1|N<3>}	C[5a](C[5a]C[5a]2)(C[5a]S[5a]C)(NHH){1|N<2>,1|N<3>,1|O<2>}	112.7260	0.000	1	112.7260	0.000	1	111.3407	1.674	4	111.3654	1.320	97	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(S[5a]C[5a])(CN)	S[5a](C[5a]C[5a]N[6])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(NHH)	C[5a](C[5a]C[5a]N)(S[5a]C[5a])(CN){1|C<2>,1|N<3>}	S[5a](C[5a]C[5a]N[6])(C[5a]C[5a]C){1|C<2>,1|N<3>,2|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(NHH){1|N<3>}	112.1580	0.000	1	112.1580	0.000	1	111.3407	1.674	4	111.3654	1.320	97	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:N-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6]C)(S[5a]C[5a,6])(NC)	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]N)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]N)(CC[6a]O)	C[5a](C[5a]C[5a,6]C)(S[5a]C[5a,6])(NC){2|C<4>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]N){1|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]N)(CC[6a]O){2|C<4>,2|H<1>}	110.3553	0.338	3	110.3553	0.114	3	110.8797	0.136	15	111.3654	1.320	97	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:N-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6]C)(S[5a]C[5a,6])(NC)	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]N)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]N)(CNO)	C[5a](C[5a]C[5a,6]C)(S[5a]C[5a,6])(NC){2|C<4>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]N){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]N)(CNO){2|C<4>,2|H<1>}	111.2730	0.000	1	111.0249	0.062	11	110.8797	0.136	15	111.3654	1.320	97	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:N-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6]C)(S[5a]C[5a,6])(NC)	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]N)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]N)(CNO)	C[5a](C[5a]C[5a,6]C)(S[5a]C[5a,6])(NC){2|C<4>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]N){1|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]N)(CNO){2|C<4>,2|H<1>}	111.0187	0.256	9	111.0249	0.062	11	110.8797	0.136	15	111.3654	1.320	97	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:N-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6]C)(S[5a]C[5a,6])(NC)	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]N)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]N)(CNO)	C[5a](C[5a]C[5a,6]C)(S[5a]C[5a,6])(NC){2|C<4>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]N){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]N)(CNO){1|C<3>,1|C<4>,2|H<1>}	110.8330	0.000	1	111.0249	0.062	11	110.8797	0.136	15	111.3654	1.320	97	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:N-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6]C)(S[5a]C[5a,6])(NC)	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]N)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]N)(COO)	C[5a](C[5a]C[5a,6]C)(S[5a]C[5a,6])(NC){2|C<4>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]N){1|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]N)(COO){2|C<4>,2|H<1>}	110.8550	0.000	1	110.8550	0.000	1	110.8797	0.136	15	111.3654	1.320	97	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:N-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5])(S[5a]C[5a,6a])(NC[6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)	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]){1|S<2>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]S[5])(C[5a]S[5a]N){1|H<1>,1|O<1>,4|C<3>}	112.3280	0.000	1	112.3280	0.000	1	112.3280	0.000	1	111.3654	1.320	97	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:N-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(NO)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)(CC[6a]C)	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(NO){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)(CC[6a]C){1|H<1>,2|C<3>}	112.8410	0.000	1	112.8410	0.000	1	112.8410	0.000	1	111.3654	1.320	97	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:N-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(NO)	S[5a](C[5a,6a]C[5a,6a]S[6a])(C[5a]C[5a]N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(NO){1|S<2>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]S[6a])(C[5a]C[5a]N){3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)(C[6a]C[6a]2){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	114.1000	0.000	1	114.1000	0.000	1	114.1000	0.000	1	111.3654	1.320	97	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:N-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(CNO)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC){2|C<4>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(CNO){1|C<4>}	110.8740	0.000	1	110.8740	0.000	1	110.7227	1.002	29	111.3654	1.320	97	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:N-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(COO)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC){1|C<3>,1|C<4>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(COO){1|C<3>}	110.7972	1.043	4	110.7972	1.087	4	110.7227	1.002	29	111.3654	1.320	97	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:N-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(CC[6a]N)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(CC[6a]N){1|C<4>}	111.9340	0.000	1	111.9340	0.000	1	110.7227	1.002	29	111.3654	1.320	97	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:N-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC)	S[5a](C[5a]C[5a]N)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(COO)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC){1|C<3>,1|N<2>}	S[5a](C[5a]C[5a]N)2{2|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(COO){1|N<2>}	111.1153	0.429	15	111.0859	0.169	17	110.7227	1.002	29	111.3654	1.320	97	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:N-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC)	S[5a](C[5a]C[5a]N)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(COO)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC){1|C<3>,1|N<3>}	S[5a](C[5a]C[5a]N)2{2|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(COO){1|N<3>}	110.8660	0.136	2	111.0859	0.169	17	110.7227	1.002	29	111.3654	1.320	97	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:N-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC[6a])	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)(CC[6a]O)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC[6a]){2|C<3>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){2|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)(CC[6a]O){3|C<3>}	109.1610	0.000	1	109.1610	0.000	1	110.7227	1.002	29	111.3654	1.320	97	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:N-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC[6a])	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(CN[6]N)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC[6a]){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(CN[6]N){1|C<4>}	108.5013	0.126	3	108.5013	0.016	3	110.7227	1.002	29	111.3654	1.320	97	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:N-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NO)	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(CC[6a]C)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NO){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(CC[6a]C){1|C<3>}	111.6170	0.000	1	111.6170	0.000	1	110.7227	1.002	29	111.3654	1.320	97	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:N-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NP)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(COO)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NP){1|C<3>,1|C<4>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(COO){1|C<3>}	110.2190	0.000	1	110.2190	0.000	1	110.7227	1.002	29	111.3654	1.320	97	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:O-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(OC[6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(OC[6a]){4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)(C[6a]C[6a]2){3|H<1>,4|C<3>}	114.7380	0.000	1	114.7380	0.000	1	114.7380	0.000	1	111.3654	1.320	97	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:O-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(OC)	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]O)	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){1|C<4>,1|H<1>,2|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]O){1|H<1>,3|C<3>}	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>}	112.4373	0.177	4	112.4373	0.031	4	112.4373	0.031	4	111.3654	1.320	97	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:S-2:	C[5a,5a]-3:C[5a]-3:	C[5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a](C[5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(SC[5a])	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]S)	C[5a](C[5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2)(C[5a]S[5a]S)	C[5a](C[5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(SC[5a]){1|S<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]S){3|C<3>}	C[5a](C[5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2)(C[5a]S[5a]S){3|S<2>,4|C<3>}	113.3210	0.330	2	113.3210	0.109	2	113.3210	0.109	2	111.3654	1.320	97	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:S-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6]C)(S[5a]C[5a,6])(SC)	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]S)	C[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]S[5a]S)(CC[5a]O)	C[5a](C[5a]C[5a,6]C)(S[5a]C[5a,6])(SC){2|C<3>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]S){1|O<1>,3|C<3>}	C[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]S[5a]S)(CC[5a]O){3|C<3>}	112.4880	0.000	1	112.4880	0.000	1	112.3900	0.054	3	111.3654	1.320	97	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:S-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6]C)(S[5a]C[5a,6])(SC)	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]S)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]S)(CC[5a]O)	C[5a](C[5a]C[5a,6]C)(S[5a]C[5a,6])(SC){2|C<3>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]S){1|O<1>,3|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]S)(CC[5a]O){1|O<1>,2|C<3>}	112.5580	0.000	1	112.5580	0.000	1	112.3900	0.054	3	111.3654	1.320	97	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:S-2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6]C)(S[5a]C[5a,6])(SC)	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]S)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]S)(CC[6a]O)	C[5a](C[5a]C[5a,6]C)(S[5a]C[5a,6])(SC){2|C<3>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]S){1|O<1>,3|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]S)(CC[6a]O){1|O<1>,2|C<3>}	112.1240	0.000	1	112.1240	0.000	1	112.3900	0.054	3	111.3654	1.320	97	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(SC)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]S)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]S)(CCO)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(SC){1|C<3>,1|C<4>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]S){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]S)(CCO){1|C<3>}	111.7650	0.000	1	111.7650	0.000	1	110.9648	0.254	5	111.3654	1.320	97	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(SC)	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]S)(CC[6a]O)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(SC){2|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S){4|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]S)(CC[6a]O){1|C<3>}	110.8710	0.000	1	110.8710	0.000	1	110.9648	0.254	5	111.3654	1.320	97	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(SC)	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]S)(COO)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(SC){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]S)(COO){1|C<3>}	110.3750	0.000	1	110.3750	0.000	1	110.9648	0.254	5	111.3654	1.320	97	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(SC)	S[5a](C[5a]C[5a]H)(C[5a]C[5a]S)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]S)(CC[6a]O)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(SC){2|H<1>}	S[5a](C[5a]C[5a]H)(C[5a]C[5a]S){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]S)(CC[6a]O){1|H<1>}	110.9065	0.103	2	110.9065	0.011	2	110.9648	0.254	5	111.3654	1.320	97	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(SC[5a])	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]S)	C[5a](C[5a]C[5a]Br)(C[5a]C[5a]2)(C[5a]S[5a]S)	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(SC[5a]){1|Br<1>,1|Si<4>,2|C<3>}	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]S){1|Br<1>,1|C<3>}	C[5a](C[5a]C[5a]Br)(C[5a]C[5a]2)(C[5a]S[5a]S){1|Br<1>,1|Si<4>,1|C<3>,2|S<2>}	111.8013	0.392	10	111.8013	0.154	10	111.8013	0.154	10	111.3654	1.320	97	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(SC[5a])	S[5a](C[5a]C[5a]H)(C[5a]C[5a]S)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]S)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(SC[5a]){2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]H)(C[5a]C[5a]S){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]S)(C[6a]C[6a]2){2|H<1>,3|C<3>}	112.4805	0.309	2	112.4805	0.095	2	112.4805	0.095	2	111.3654	1.320	97	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:Se-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(SeC)	S[5a](C[5a]C[5a]Se)(C[5a]C[5a]H)	C[5a](C[5a]S[5a]Se)(C[5a]C[5a]H)(CNO)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(SeC){2|H<1>}	S[5a](C[5a]C[5a]Se)(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]S[5a]Se)(C[5a]C[5a]H)(CNO){1|H<1>}	110.8040	0.000	1	110.8040	0.000	1	110.8040	0.000	1	111.3654	1.320	97	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,5a]C)(S[5a]C[5a,5a])(CN)	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]C)	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)(CH3)	C[5a](C[5a]C[5a,5a]C)(S[5a]C[5a,5a])(CN){1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]C){1|C<4>,2|C<3>}	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)(CH3){1|C<3>,1|C<4>,1|S<2>}	114.7858	0.268	4	114.7858	0.072	4	114.7858	0.072	4	112.5378	1.743	17	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CC)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CC){1|C<3>,1|C<4>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|S<2>,2|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH){1|C<3>}	112.0310	0.141	4	112.0310	0.020	4	111.8977	0.082	11	112.5378	1.743	17	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CC)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CC){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH){1|H<1>}	111.5140	0.000	1	111.5140	0.000	1	111.8977	0.082	11	112.5378	1.743	17	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CC)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CC){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CCHH){1|H<1>}	111.5980	0.199	2	111.5980	0.040	2	111.8977	0.082	11	112.5378	1.743	17	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CC)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CC){1|C<2>,1|C<4>}	S[5a](C[5a]C[5a]C)2{2|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH){1|C<2>}	112.1465	0.173	2	112.0102	0.089	4	111.8977	0.082	11	112.5378	1.743	17	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CC)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CC){1|C<3>,1|C<4>}	S[5a](C[5a]C[5a]C)2{2|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH){1|C<3>}	111.8740	0.404	2	112.0102	0.089	4	111.8977	0.082	11	112.5378	1.743	17	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5]-4:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(SC[6a])	S[5a](C[5a]C[5a]H)(C[5a]C[5a]S)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]S)(C[5]C[5]2C)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(SC[6a]){1|C<3>,2|C<4>,2|H<1>}	S[5a](C[5a]C[5a]H)(C[5a]C[5a]S){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]S)(C[5]C[5]2C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	111.2210	0.000	1	111.5625	0.233	2	111.5625	0.233	2	112.5378	1.743	17	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5]-4:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(SC[6a])	S[5a](C[5a]C[5a]H)(C[5a]C[5a]S)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]S)(C[5]C[5]2C)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(SC[6a]){1|C<3>,2|C<4>,2|H<1>}	S[5a](C[5a]C[5a]H)(C[5a]C[5a]S){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]S)(C[5]C[5]2C){1|O<1>,2|C<3>,3|H<1>}	111.9040	0.000	1	111.5625	0.233	2	111.5625	0.233	2	112.5378	1.743	17	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	4:3:3:	C[5a]-3:S[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(SC[6a])	S[5a](C[5a]C[5a]H)(C[5a]C[5a]S)	C[5a](C[5]C[5a]C[5]2)(C[5a]C[5a]H)(C[5a]S[5a]S)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(SC[6a]){1|C<4>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]H)(C[5a]C[5a]S){1|C<4>,1|H<1>}	C[5a](C[5]C[5a]C[5]2)(C[5a]C[5a]H)(C[5a]S[5a]S){1|C<4>,1|O<1>,1|S<2>,2|C<3>,3|H<1>}	112.5510	0.000	1	112.5510	0.000	1	112.5510	0.000	1	112.3270	0.100	2	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:2:	3:3:	4:3:3:	C[5a]-3:S[5a]-2:S-2:	C[5a]-3:C[5a]-3:	C[6,6]-4:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[6,6]C[5a])(S[5a]C[5a])(SC[6a])	S[5a](C[5a]C[5a]H)(C[5a]C[5a]S)	C[5a](C[6,6]C[6,6]C[6]2)(C[5a]C[5a]H)(C[5a]S[5a]S)	C[5a](C[5a]C[6,6]C[5a])(S[5a]C[5a])(SC[6a]){1|C<3>,2|C<4>,2|H<1>}	S[5a](C[5a]C[5a]H)(C[5a]C[5a]S){1|C<4>,1|H<1>}	C[5a](C[6,6]C[6,6]C[6]2)(C[5a]C[5a]H)(C[5a]S[5a]S){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	112.1030	0.000	1	112.1030	0.000	1	112.1030	0.000	1	112.3270	0.100	2	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:2:	3:2:2:	C[5a]-3:S[5a]-2:N[6]-3:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-2:	C[5a](C[5a]N[5a]C)(S[5a]N[5a])(N[6]C[6]2)	S[5a](C[5a]C[5a]N[6])(N[5a]N[5a])	C[5a](C[5a]S[5a]N[6])(N[5a]N[5a])(CN)	C[5a](C[5a]N[5a]C)(S[5a]N[5a])(N[6]C[6]2){2|C<4>,4|H<1>}	S[5a](C[5a]C[5a]N[6])(N[5a]N[5a]){1|C<2>,2|C<4>}	C[5a](C[5a]S[5a]N[6])(N[5a]N[5a])(CN){2|C<4>}	106.1850	0.000	1	106.1850	0.000	1	106.1850	0.000	1	106.1850	0.000	1	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:2:	3:2:3:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(S[5a]N[5a])(NCC)	S[5a](C[5a]C[5a]N)(N[5a]N[5a])	C[5a](C[5a]S[5a]N)(N[5a]N[5a])(CNN)	C[5a](C[5a]N[5a]C)(S[5a]N[5a])(NCC)	S[5a](C[5a]C[5a]N)(N[5a]N[5a]){1|C<3>}	C[5a](C[5a]S[5a]N)(N[5a]N[5a])(CNN)	105.6700	0.000	1	105.6700	0.000	1	105.6700	0.000	1	106.3203	0.454	3	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:2:	3:2:3:	C[5a]-3:S[5a]-2:N[6]-3:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(S[5a]N[5a])(N[6]C[6]2)	S[5a](C[5a]C[5a]N[6])(N[5a]N[5a])	C[5a](C[5a]S[5a]N[6])(N[5a]N[5a])(CNN)	C[5a](C[5a]N[5a]C)(S[5a]N[5a])(N[6]C[6]2){2|C<4>,4|H<1>}	S[5a](C[5a]C[5a]N[6])(N[5a]N[5a]){1|C<3>,2|C<4>}	C[5a](C[5a]S[5a]N[6])(N[5a]N[5a])(CNN){2|C<4>}	106.6455	0.523	2	106.6455	0.273	2	106.6455	0.273	2	106.3203	0.454	3	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:2:	3:2:4:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(S[5a]N[5a])(CHN)	S[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]S[5a]C)(N[5a]N[5a])(CH3)	C[5a](C[5a]N[5a]C)(S[5a]N[5a])(CHN)	S[5a](C[5a]C[5a]C)(N[5a]N[5a]){1|C<4>}	C[5a](C[5a]S[5a]C)(N[5a]N[5a])(CH3)	108.2870	0.000	1	108.2870	0.000	1	108.1810	0.623	3	108.1810	0.623	3	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:2:	3:2:4:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(S[5a]N[5a])(CNO)	S[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]S[5a]C)(N[5a]N[5a])(CH3)	C[5a](C[5a]N[5a]C)(S[5a]N[5a])(CNO)	S[5a](C[5a]C[5a]C)(N[5a]N[5a]){1|C<4>}	C[5a](C[5a]S[5a]C)(N[5a]N[5a])(CH3)	108.1280	1.109	2	108.1280	1.229	2	108.1810	0.623	3	108.1810	0.623	3	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:2:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:Cl-1:	C[5a](C[5a]C[5a]Cl)(S[5a]N[5a])(CC[6a]C)	S[5a](C[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]Cl)(C[5a]S[5a]C)(Cl)	C[5a](C[5a]C[5a]Cl)(S[5a]N[5a])(CC[6a]C){1|Cl<1>}	S[5a](C[5a]C[5a]C)(N[5a]C[5a]){2|Cl<1>}	C[5a](C[5a]N[5a]Cl)(C[5a]S[5a]C)(Cl)	107.7960	0.000	1	107.7960	0.000	1	107.7670	0.002	2	109.9294	14.727	5	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:2:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:Cl-1:	C[5a](C[5a]C[5a]Cl)(S[5a]N[5a])(CHN)	S[5a](C[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]Cl)(C[5a]S[5a]C)(Cl)	C[5a](C[5a]C[5a]Cl)(S[5a]N[5a])(CHN){1|Cl<1>}	S[5a](C[5a]C[5a]C)(N[5a]C[5a]){2|Cl<1>}	C[5a](C[5a]N[5a]Cl)(C[5a]S[5a]C)(Cl)	107.7380	0.000	1	107.7380	0.000	1	107.7670	0.002	2	109.9294	14.727	5	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:2:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]N[5a])(CC[6a]O)	S[5a](C[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]S)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]N[5a])(CC[6a]O){1|S<4>}	S[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|H<1>,1|S<4>}	C[5a](C[5a]N[5a]S)(C[5a]S[5a]C)(H)	108.6850	0.000	1	108.6850	0.000	1	108.6840	0.000	2	109.9294	14.727	5	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:2:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]N[5a])(COS)	S[5a](C[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]N[5a])(COS){1|C<3>}	S[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]S[5a]C)(H){2|C<3>}	108.6830	0.000	1	108.6830	0.000	1	108.6840	0.000	2	109.9294	14.727	5	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:2:	3:3:1:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:Cl-1:	C[5a](C[5a]C[5a]Cl)(S[5a]S[5a])(NC[6a]H)	S[5a](C[5a]C[5a]N)(S[5a]C[5a])	C[5a](C[5a]S[5a]N)(C[5a]S[5a]O)(Cl)	C[5a](C[5a]C[5a]Cl)(S[5a]S[5a])(NC[6a]H){1|O<1>}	S[5a](C[5a]C[5a]N)(S[5a]C[5a]){1|Cl<1>,1|O<1>}	C[5a](C[5a]S[5a]N)(C[5a]S[5a]O)(Cl)	116.7450	0.000	1	116.7450	0.000	1	116.7450	0.000	1	109.9294	14.727	5	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:2:	3:3:3:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(S[5a]N[5a])(COO)	S[5a](C[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(C[5a]S[5a]C)(NHH)	C[5a](C[5a]C[5a]N)(S[5a]N[5a])(COO){1|C<3>}	S[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|N<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]S[5a]C)(NHH){2|C<3>}	109.5190	0.734	2	109.5190	0.539	2	109.5190	0.539	2	109.5190	0.539	2	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:2:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:Br-1:	C[5a](C[5a]N[5a]Br)(S[5a]C[5a])(COO)	S[5a](C[5a]N[5a]Pd)(C[5a]C[5a]C)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(Br)	C[5a](C[5a]N[5a]Br)(S[5a]C[5a])(COO){1|Pd<4>}	S[5a](C[5a]N[5a]Pd)(C[5a]C[5a]C){1|Br<1>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(Br){1|Pd<4>}	106.6300	0.000	1	106.6300	0.000	1	106.6300	0.000	1	113.4426	15.419	47	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:2:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CCH)	S[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CCH){1|C<4>}	S[5a](C[5a]C[5a]C)(C[5a]N[5a]C){1|H<1>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H){1|C<4>}	108.3450	0.000	1	108.3450	0.000	1	109.1953	0.746	13	113.4426	15.419	47	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:2:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CCH)	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CCH){1|C<3>}	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H){1|C<3>}	109.0520	0.000	1	109.0520	0.000	1	109.1953	0.746	13	113.4426	15.419	47	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:2:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CC[6a]C)	S[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CC[6a]C){1|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]N[5a]H){1|H<1>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H){1|H<1>}	108.4110	0.000	1	108.4110	0.000	1	109.1953	0.746	13	113.4426	15.419	47	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:2:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CC[6a]O)	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CC[6a]O){1|C<3>}	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H){1|C<3>}	109.0710	0.000	1	109.0710	0.000	1	109.1953	0.746	13	113.4426	15.419	47	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:2:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CHO)	S[5a](C[5a]C[5a]C)(C[5a]N[5a]N)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CHO){1|N<3>}	S[5a](C[5a]C[5a]C)(C[5a]N[5a]N){1|H<1>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H){1|N<3>}	110.3570	0.000	1	110.3570	0.000	1	109.1953	0.746	13	113.4426	15.419	47	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:2:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(COO)	S[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(COO){1|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]N[5a]H){1|H<1>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H){1|H<1>}	110.3500	0.000	1	110.3500	0.000	1	109.1953	0.746	13	113.4426	15.419	47	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:2:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(COO)	S[5a](C[5a]C[5a]C)(C[5a]N[5a]N)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(COO){1|N<3>}	S[5a](C[5a]C[5a]C)(C[5a]N[5a]N){1|H<1>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H){1|N<3>}	110.2110	0.112	2	110.2110	0.012	2	109.1953	0.746	13	113.4426	15.419	47	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:2:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(COO)	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(COO){1|C<3>}	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C){1|C<3>,1|H<1>,1|O<2>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H){1|C<3>}	109.6110	0.000	1	109.6110	0.000	1	109.1953	0.746	13	113.4426	15.419	47	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:2:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(COW)	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(COW){1|C<3>}	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H){1|C<3>}	108.4257	0.531	3	108.4257	0.282	3	109.1953	0.746	13	113.4426	15.419	47	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:2:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(COW)	S[5a](C[5a]N[5a]N[6])(C[5a]C[5a]C)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(COW){1|N<3>}	S[5a](C[5a]N[5a]N[6])(C[5a]C[5a]C){1|H<1>,2|C<4>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H){1|N<3>}	108.6430	0.000	1	108.6430	0.000	1	109.1953	0.746	13	113.4426	15.419	47	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:2:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a]S[5a]H)(S[5a]C[5a])(CCS)	S[5a](C[5a]C[5a]C)(C[5a]S[5a]O)	C[5a](C[5a]S[5a]C)(S[5a]C[5a])(H)	C[5a](C[5a]S[5a]H)(S[5a]C[5a])(CCS){1|O<1>}	S[5a](C[5a]C[5a]C)(C[5a]S[5a]O){1|H<1>}	C[5a](C[5a]S[5a]C)(S[5a]C[5a])(H){1|O<1>}	114.9367	0.939	3	114.9367	0.881	3	114.9367	0.881	3	113.4426	15.419	47	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:2:1:	C[5a]-3:S[5a]-2:C[5]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:O-1:	C[5a](C[5a]S[5a]O)(S[5a]C[5a])(C[5]S[5]2)	S[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C[5])	C[5a](C[5a]S[5a]C[5])(S[5a]C[5a])(O)	C[5a](C[5a]S[5a]O)(S[5a]C[5a])(C[5]S[5]2){1|C<2>,2|C<3>}	S[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C[5]){1|O<1>,4|S<2>}	C[5a](C[5a]S[5a]C[5])(S[5a]C[5a])(O){1|C<3>,2|S<2>}	114.3340	0.000	1	117.4508	1.789	19	117.4508	1.789	19	113.4426	15.419	47	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:2:1:	C[5a]-3:S[5a]-2:C[5]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:O-1:	C[5a](C[5a]S[5a]O)(S[5a]C[5a])(C[5]S[5]2)	S[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C[5])	C[5a](C[5a]S[5a]C[5])(S[5a]C[5a])(O)	C[5a](C[5a]S[5a]O)(S[5a]C[5a])(C[5]S[5]2){3|C<3>}	S[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C[5]){1|O<1>,4|S<2>}	C[5a](C[5a]S[5a]C[5])(S[5a]C[5a])(O){1|C<3>,2|S<2>}	117.6239	1.136	18	117.4508	1.789	19	117.4508	1.789	19	113.4426	15.419	47	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:2:1:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(NOO)	S[5a](C[5a]C[5a]N)(C[5a]N[5a]N)	C[5a](C[5a]S[5a]N)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(NOO){1|N<3>}	S[5a](C[5a]C[5a]N)(C[5a]N[5a]N){1|H<1>}	C[5a](C[5a]S[5a]N)(N[5a]C[5a])(H){1|N<3>}	112.6446	0.553	9	112.6446	0.305	9	112.6446	0.305	9	113.4426	15.419	47	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:2:1:	C[5a]-3:S[5a]-2:P-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(PC[6a]2)	S[5a](C[5a]C[5a]P)(C[5a]N[5a]N)	C[5a](C[5a]S[5a]P)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(PC[6a]2){1|N<2>}	S[5a](C[5a]C[5a]P)(C[5a]N[5a]N){1|H<1>}	C[5a](C[5a]S[5a]P)(N[5a]C[5a])(H){1|N<2>}	107.7630	0.000	1	107.7290	0.002	2	107.7290	0.002	2	113.4426	15.419	47	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:2:1:	C[5a]-3:S[5a]-2:P-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(PC[6a]2)	S[5a](C[5a]C[5a]P)(C[5a]N[5a]N)	C[5a](C[5a]S[5a]P)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(PC[6a]2){1|N<3>}	S[5a](C[5a]C[5a]P)(C[5a]N[5a]N){1|H<1>}	C[5a](C[5a]S[5a]P)(N[5a]C[5a])(H){1|N<3>}	107.6950	0.000	1	107.7290	0.002	2	107.7290	0.002	2	113.4426	15.419	47	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:2:2:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:O-2:	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CNO)	S[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(OC)	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CNO){1|C<4>}	S[5a](C[5a]C[5a]C)(C[5a]N[5a]C){1|O<2>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(OC){1|C<4>}	108.1340	0.000	1	108.1340	0.000	1	108.5830	0.403	2	108.5637	0.203	3	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:2:2:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:O-2:	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CNO)	S[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(OH)	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CNO){1|C<4>}	S[5a](C[5a]C[5a]C)(C[5a]N[5a]C){1|O<2>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(OH){1|C<4>}	109.0320	0.000	1	109.0320	0.000	1	108.5830	0.403	2	108.5637	0.203	3	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:2:2:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-2:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(NC[6]H)	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)	C[5a](C[5a]S[5a]N)(N[5a]C[5a])(CN)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(NC[6]H){1|C<3>}	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N){1|C<2>,2|C<3>}	C[5a](C[5a]S[5a]N)(N[5a]C[5a])(CN){1|C<3>}	108.5250	0.000	1	108.5250	0.000	1	108.5250	0.000	1	108.5637	0.203	3	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:2:3:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(COO)	S[5a](C[5a]C[5a]C)(C[5a]N[5a]2)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CCN)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(COO){1|N<3>}	S[5a](C[5a]C[5a]C)(C[5a]N[5a]2){3|C<3>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CCN){1|N<3>}	109.6290	0.000	1	109.6290	0.000	1	109.4940	0.036	2	110.7010	10.580	10	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:2:3:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(COO)	S[5a](C[5a]C[5a]C)(C[5a]N[5a]N)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(COO)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(COO){1|N<3>}	S[5a](C[5a]C[5a]C)(C[5a]N[5a]N){1|C<3>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(COO){1|N<3>}	109.3590	0.000	1	109.3590	0.000	1	109.4940	0.036	2	110.7010	10.580	10	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:2:3:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a](C[5a]N[5a]N)(S[5a]C[5a])(CCO)	S[5a](C[5a]C[5a]C)(C[5a]N[5a]S)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(NCH)	C[5a](C[5a]N[5a]N)(S[5a]C[5a])(CCO){1|S<2>}	S[5a](C[5a]C[5a]C)(C[5a]N[5a]S){1|N<3>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(NCH){1|S<2>}	109.0410	0.055	2	109.0410	0.003	2	108.3117	0.710	4	110.7010	10.580	10	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:2:3:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a](C[5a]N[5a]N)(S[5a]C[5a])(CC[6a]O)	S[5a](C[5a]C[5a]C)(C[5a]N[5a]N)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(NHN)	C[5a](C[5a]N[5a]N)(S[5a]C[5a])(CC[6a]O){1|N<3>}	S[5a](C[5a]C[5a]C)(C[5a]N[5a]N){1|N<3>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(NHN){1|N<3>}	107.5825	0.016	2	107.5825	0.000	2	108.3117	0.710	4	110.7010	10.580	10	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:2:3:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:C-3:	C[5a](C[5a]S[5a]C)(S[5a]C[5a])(CNO)	S[5a](C[5a]C[5a]C)(C[5a]S[5a]O)	C[5a](C[5a]S[5a]C)(S[5a]C[5a])(CNO)	C[5a](C[5a]S[5a]C)(S[5a]C[5a])(CNO){1|O<1>}	S[5a](C[5a]C[5a]C)(C[5a]S[5a]O){1|C<3>}	C[5a](C[5a]S[5a]C)(S[5a]C[5a])(CNO){1|O<1>}	116.2475	1.603	2	116.2475	2.570	2	116.2475	2.570	2	110.7010	10.580	10	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:2:3:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(NC[6a]2)	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)	C[5a](C[5a]S[5a]N)(N[5a]C[5a])(CCH)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(NC[6a]2){1|C<3>}	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N){3|C<3>}	C[5a](C[5a]S[5a]N)(N[5a]C[5a])(CCH){1|C<3>}	109.9520	0.000	1	109.9520	0.000	1	111.1400	2.823	2	110.7010	10.580	10	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:2:3:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(NOO)	S[5a](C[5a]C[5a]N)(C[5a]N[5a]C)	C[5a](C[5a]S[5a]N)(N[5a]C[5a])(CCH)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(NOO){1|C<4>}	S[5a](C[5a]C[5a]N)(C[5a]N[5a]C){1|C<3>}	C[5a](C[5a]S[5a]N)(N[5a]C[5a])(CCH){1|C<4>}	112.3280	0.000	1	112.3280	0.000	1	111.1400	2.823	2	110.7010	10.580	10	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:2:4:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CCH)	S[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CCH){1|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]N[5a]H){1|C<4>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3){1|H<1>}	109.3040	0.390	3	109.3040	0.152	3	109.8787	0.263	38	110.0872	2.576	46	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:2:4:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CCO)	S[5a](C[5a]C[5a]C)(C[5a]N[5a]N)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CCO){1|N<3>}	S[5a](C[5a]C[5a]C)(C[5a]N[5a]N){1|C<4>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3){1|N<3>}	109.4772	0.234	4	109.4772	0.055	4	109.8787	0.263	38	110.0872	2.576	46	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:2:4:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CCO)	S[5a](C[5a]N[5a]N[5])(C[5a]C[5a]C)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CCO){1|N<3>}	S[5a](C[5a]N[5a]N[5])(C[5a]C[5a]C){1|N<2>,2|C<4>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3){1|N<3>}	109.9720	0.000	1	109.9720	0.000	1	109.8787	0.263	38	110.0872	2.576	46	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:2:4:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CC[6a]O)	S[5a](C[5a]C[5a]C)(C[5a]N[5a]N)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CC[6a]O){1|N<3>}	S[5a](C[5a]C[5a]C)(C[5a]N[5a]N){1|C<4>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3){1|N<3>}	109.3263	0.239	3	109.3263	0.057	3	109.8787	0.263	38	110.0872	2.576	46	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:2:4:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CHO)	S[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CHO){1|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]N[5a]H){1|C<4>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3){1|H<1>}	110.2480	0.000	1	110.2480	0.000	1	109.8787	0.263	38	110.0872	2.576	46	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:2:4:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CNO)	S[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CNO){1|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]N[5a]H){1|C<4>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3){1|H<1>}	109.4770	0.000	1	109.4770	0.000	1	109.8787	0.263	38	110.0872	2.576	46	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:2:4:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(COO)	S[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CF3)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(COO){1|C<4>}	S[5a](C[5a]C[5a]C)(C[5a]N[5a]C){1|C<4>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CF3){1|C<4>}	109.2030	0.000	1	109.2030	0.000	1	109.8787	0.263	38	110.0872	2.576	46	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:2:4:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(COO)	S[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(COO){1|C<4>}	S[5a](C[5a]C[5a]C)(C[5a]N[5a]C){1|C<4>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3){1|C<4>}	110.0950	0.000	1	110.0950	0.000	1	109.8787	0.263	38	110.0872	2.576	46	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:2:4:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(COO)	S[5a](C[5a]C[5a]C)(C[5a]N[5a]N)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CC3)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(COO){1|N<3>}	S[5a](C[5a]C[5a]C)(C[5a]N[5a]N){1|C<4>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CC3){1|N<3>}	110.4180	0.304	2	110.4180	0.092	2	109.8787	0.263	38	110.0872	2.576	46	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:2:4:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(COO)	S[5a](C[5a]C[5a]C)(C[5a]N[5a]N)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CCCH)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(COO){1|N<3>}	S[5a](C[5a]C[5a]C)(C[5a]N[5a]N){1|C<4>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CCCH){1|N<3>}	110.0830	0.000	1	110.0830	0.000	1	109.8787	0.263	38	110.0872	2.576	46	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:2:4:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(COO)	S[5a](C[5a]C[5a]C)(C[5a]N[5a]N)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(COO){1|N<3>}	S[5a](C[5a]C[5a]C)(C[5a]N[5a]N){1|C<4>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3){1|N<3>}	110.3735	0.624	2	110.3735	0.390	2	109.8787	0.263	38	110.0872	2.576	46	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:2:4:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(COO)	S[5a](C[5a]C[5a]C)(C[5a]N[5a]N)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CHHO)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(COO){1|N<3>}	S[5a](C[5a]C[5a]C)(C[5a]N[5a]N){1|C<4>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CHHO){1|N<3>}	109.7585	0.091	2	109.7585	0.008	2	109.8787	0.263	38	110.0872	2.576	46	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:2:4:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(COO)	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CCHH)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(COO){1|C<3>}	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C){1|C<4>,1|N<2>,1|S<2>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CCHH){1|C<3>}	110.6415	0.084	2	110.6415	0.007	2	109.8787	0.263	38	110.0872	2.576	46	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:2:4:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(COO)	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(COO){1|C<3>}	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|N<2>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3){1|C<3>}	110.6150	0.000	1	110.6150	0.000	1	109.8787	0.263	38	110.0872	2.576	46	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:2:4:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(COO)	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CF3)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(COO){1|C<3>}	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,2|C<3>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CF3){1|C<3>}	109.4257	0.255	3	109.4257	0.065	3	109.8787	0.263	38	110.0872	2.576	46	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:2:4:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(COO)	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(COO){1|C<3>}	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,2|C<3>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3){1|C<3>}	110.0897	0.386	8	110.0897	0.149	8	109.8787	0.263	38	110.0872	2.576	46	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:2:4:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(COO)	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CHHO)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(COO){1|C<3>}	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,2|C<3>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CHHO){1|C<3>}	110.2605	0.066	2	110.2605	0.004	2	109.8787	0.263	38	110.0872	2.576	46	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:2:4:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5a]S[5a]C)(S[5a]C[5a])(CHH)	S[5a](C[5a]S[5a]C[5])(C[5a]C[5a]C)	C[5a](C[5a]S[5a]C)(S[5a]C[5a])(CH3)	C[5a](C[5a]S[5a]C)(S[5a]C[5a])(CHH){1|C<3>}	S[5a](C[5a]S[5a]C[5])(C[5a]C[5a]C){1|C<4>,2|S<2>}	C[5a](C[5a]S[5a]C)(S[5a]C[5a])(CH3){1|C<3>}	116.9710	0.083	2	116.9710	0.007	2	116.9710	0.007	2	110.0872	2.576	46	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:2:4:	C[5a]-3:S[5a]-2:C[5]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(C[5]C[5]2)	S[5a](C[5a]C[5a]C[5])(C[5a]N[5a]C)	C[5a](C[5a]S[5a]C[5])(N[5a]C[5a])(CH3)	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>}	S[5a](C[5a]C[5a]C[5])(C[5a]N[5a]C){1|C<3>,2|C<4>}	C[5a](C[5a]S[5a]C[5])(N[5a]C[5a])(CH3){1|C<3>,2|C<4>}	110.0920	0.000	1	110.0920	0.000	1	110.2525	0.052	2	110.0872	2.576	46	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:2:4:	C[5a]-3:S[5a]-2:C[5]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(C[5]C[5]2)	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C[5])	C[5a](C[5a]S[5a]C[5])(N[5a]C[5a])(CH3)	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>}	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C[5]){1|N<2>,2|C<3>,2|C<4>}	C[5a](C[5a]S[5a]C[5])(N[5a]C[5a])(CH3){1|C<4>,2|C<3>}	110.4130	0.000	1	110.4130	0.000	1	110.2525	0.052	2	110.0872	2.576	46	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:2:4:	C[5a]-3:S[5a]-2:P-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(PC[6a]2)	S[5a](C[5a]C[5a]P)(C[5a]N[5a]N)	C[5a](C[5a]S[5a]P)(N[5a]C[5a])(CCHH)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(PC[6a]2){1|N<3>}	S[5a](C[5a]C[5a]P)(C[5a]N[5a]N){1|C<4>}	C[5a](C[5a]S[5a]P)(N[5a]C[5a])(CCHH){1|N<3>}	108.5425	0.206	4	108.5425	0.042	4	108.5425	0.042	4	110.0872	2.576	46	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:B-3:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(BC[6a]2)	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]B)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]B)(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(BC[6a]2){1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]B){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]B)(H){2|C<3>}	110.9600	0.000	1	110.9600	0.000	1	111.0757	0.011	3	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:B-3:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(BC[6a]O)	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]B)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]B)(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(BC[6a]O){1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]B){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]B)(H){2|C<3>}	111.1335	0.032	2	111.1335	0.001	2	111.0757	0.011	3	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:B-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(BC[6a]2)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]B)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(BC[6a]2){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]B){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]B)(H){1|C<3>}	108.8240	0.076	2	108.8240	0.006	2	108.8441	0.043	7	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:B-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(BC[6a]2)	S[5a](C[5a]C[5a]B)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]B)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(BC[6a]2){1|C<3>,1|C<4>}	S[5a](C[5a]C[5a]B)(C[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]B)(H){1|C<3>,2|C<4>}	108.4990	0.000	1	108.4990	0.000	1	108.8441	0.043	7	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:B-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(BC[6a]2)	S[5a](C[5a]C[5a]B)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]B)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(BC[6a]2){1|C<2>,1|H<1>}	S[5a](C[5a]C[5a]B)(C[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]B)(H){1|C<2>}	109.0410	0.000	1	109.0410	0.000	1	108.8441	0.043	7	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:B-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(BC[6a]2)	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]B)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(BC[6a]2){1|H<1>,1|N<3>}	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]B){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]B)(H){1|N<3>}	109.0730	0.000	1	109.0730	0.000	1	108.8441	0.043	7	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:B-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(BOO)	S[5a](C[5a]C[5a]B)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]B)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(BOO){1|B<3>,1|H<1>}	S[5a](C[5a]C[5a]B)2{2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]B)(H){1|B<3>}	108.8240	0.195	2	108.8240	0.038	2	108.8441	0.043	7	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:B[5]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(B[5]C[5]2)	S[5a](C[5a]C[5a]B[5])(C[5a]C[5a]Si)	C[5a](C[5a]S[5a]B[5])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(B[5]C[5]2){1|Si<4>,1|H<1>,4|C<3>}	S[5a](C[5a]C[5a]B[5])(C[5a]C[5a]Si){2|C<3>,2|H<1>}	C[5a](C[5a]S[5a]B[5])(C[5a]C[5a]H)(H){1|Si<4>,2|C<3>}	107.9785	0.148	2	107.9785	0.022	2	108.9946	0.867	5	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:B[5]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(B[5]O[5]2)	S[5a](C[5a]C[5a]B[5])(C[5a]C[5a]2)	C[5a](C[5a]S[5a]B[5])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(B[5]O[5]2){1|C<3>,3|C<4>}	S[5a](C[5a]C[5a]B[5])(C[5a]C[5a]2){1|C<3>,1|C<4>,1|H<1>,1|S<2>,2|O<2>}	C[5a](C[5a]S[5a]B[5])(C[5a]C[5a]C)(H){1|C<3>,2|O<2>}	109.6690	0.058	2	109.6690	0.003	2	108.9946	0.867	5	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:B[5]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(B[5]O[5]2)	S[5a](C[5a]C[5a]B[5])(C[5a]C[5a]C)	C[5a](C[5a]S[5a]B[5])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(B[5]O[5]2){1|C<3>,1|H<1>,2|C<4>}	S[5a](C[5a]C[5a]B[5])(C[5a]C[5a]C){2|H<1>,2|O<2>}	C[5a](C[5a]S[5a]B[5])(C[5a]C[5a]H)(H){1|C<3>,2|O<2>}	109.6780	0.000	1	109.6780	0.000	1	108.9946	0.867	5	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(CCH)	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(CCH){1|C<3>,1|C<4>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]C)(H){2|C<3>,2|C<4>}	111.0325	0.463	6	111.0325	0.214	6	111.4893	1.221	16	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(CCH)	S[5a](C[5,5a]C[5,5a]Si[5])(C[5a]C[5a]C)	C[5a](C[5,5a]C[5,5a]2)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(CCH){1|Si<4>,1|C<3>}	S[5a](C[5,5a]C[5,5a]Si[5])(C[5a]C[5a]C){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[5,5a]C[5,5a]2)(C[5a]S[5a]C)(H){1|Si<4>,2|C<3>}	110.2470	0.000	1	110.2470	0.000	1	111.4893	1.221	16	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(CC[5]H)	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]C)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(CC[5]H){1|C<3>,1|C<4>}	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]C)(H){2|C<3>,2|C<4>}	110.8976	0.223	5	110.8976	0.050	5	111.4893	1.221	16	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(CHO)	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(CHO){2|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C){1|H<1>,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>}	113.3520	0.033	2	113.3520	0.001	2	111.4893	1.221	16	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(COO)	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C)	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(COO){1|C<3>,1|S<4>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C){1|C<3>,1|H<1>,1|S<2>,1|S<4>}	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]S[5a]C)(H){2|C<3>,2|O<1>}	113.5390	0.000	1	113.5390	0.000	1	111.4893	1.221	16	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(COO)	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]C)	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(COO){1|C<3>,1|S<4>}	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]C){1|H<1>,1|S<4>,2|C<3>}	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]S[5a]C)(H){2|C<3>,2|O<1>}	112.6560	0.000	1	112.6560	0.000	1	111.4893	1.221	16	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a,5a]Br)(S[5a]C[5a,5a])(CCH)	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(Br)	C[5a](C[5a]C[5a,5a]Br)(S[5a]C[5a,5a])(CCH){1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C){2|Br<1>,1|C<3>,1|S<2>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(Br){2|C<3>}	110.7113	0.213	3	110.7113	0.046	3	110.7113	0.046	3	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CCC)	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]C)	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CCC){1|C<3>,1|N<3>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]C){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]C)(H){3|C<3>}	113.4117	0.250	3	113.4117	0.062	3	112.2287	0.678	61	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CCC)	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CCC){1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(H){2|C<3>}	112.3870	0.160	2	112.3870	0.026	2	112.2287	0.678	61	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CCH)	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]C)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CCH){1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]C){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(H){2|C<3>}	112.0830	0.000	1	112.0830	0.000	1	112.2287	0.678	61	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CCH)	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CCH){1|C<3>,1|N<3>}	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]S[5a]C)(H){1|N<3>,2|C<3>}	112.0860	0.123	2	112.0860	0.015	2	112.2287	0.678	61	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CCH)	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]C)	C[5a](C[5a,5a]C[5a,5a]2)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CCH){1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	C[5a](C[5a,5a]C[5a,5a]2)(C[5a]S[5a]C)(H){1|S<2>,2|C<3>}	111.7840	0.390	3	111.7840	0.152	3	112.2287	0.678	61	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CC[5]H)	S[5a](C[5a,5a]C[5a,5a]C[5,5a])(C[5a]C[5a]C)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CC[5]H){1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]C[5,5a])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(H){2|C<3>}	111.3805	0.382	4	111.3805	0.146	4	112.2287	0.678	61	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CC[5a]C[6a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]C)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CC[5a]C[6a]){1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]C){1|C<3>,1|H<1>,2|S<2>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(H){2|C<3>}	110.9755	0.981	2	110.9755	0.962	2	112.2287	0.678	61	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CC[6a]C[5])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]C)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CC[6a]C[5]){1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]C){1|C<3>,1|H<1>,2|S<2>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(H){2|C<3>}	111.3490	0.650	4	111.3490	0.422	4	112.2287	0.678	61	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CC[6a]C[5])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CC[6a]C[5]){1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(H){2|C<3>}	111.3620	0.815	2	111.3620	0.664	2	112.2287	0.678	61	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CC[6a]H)	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CC[6a]H){1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(H){2|C<3>}	110.9240	0.371	2	110.9240	0.137	2	112.2287	0.678	61	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CC[6a]O)	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]C)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CC[6a]O){1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]C){1|C<3>,1|H<1>,2|S<2>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(H){2|C<3>}	113.0690	0.253	5	113.0690	0.064	5	112.2287	0.678	61	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CC[6a]O)	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CC[6a]O){1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(H){2|C<3>}	113.4450	0.000	1	113.4450	0.000	1	112.2287	0.678	61	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CC[6a]O)	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CC[6a]O){1|C<3>,1|N<3>}	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]S[5a]C)(H){1|N<3>,2|C<3>}	112.8460	0.000	1	112.8460	0.000	1	112.2287	0.678	61	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CHN)	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]C)	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CHN){1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)(H){1|C<3>,1|H<1>,1|S<2>}	112.6470	0.220	11	112.6470	0.048	11	112.2287	0.678	61	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CNO)	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]C)	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CNO){1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)(H){1|C<3>,1|H<1>,1|S<2>}	112.2355	0.235	2	112.2355	0.055	2	112.2287	0.678	61	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CNW)	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]C)	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CNW){1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)(H){1|C<3>,1|H<1>,1|S<2>}	112.3660	0.033	2	112.3660	0.001	2	112.2287	0.678	61	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(COO)	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]C)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(COO){1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]C){1|C<3>,1|H<1>,2|S<2>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(H){2|C<3>}	112.7262	0.674	5	112.7262	0.454	5	112.2287	0.678	61	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(COW)	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C)	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(COW){1|C<3>,1|N<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C){1|C<3>,1|N<3>,2|H<1>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]C)(H){1|C<4>,2|C<3>}	111.1950	0.000	1	111.1950	0.000	1	112.2287	0.678	61	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(COW)	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]C)	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(COW){1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)(H){1|C<3>,1|H<1>,1|S<2>}	111.5190	0.676	2	111.5190	0.457	2	112.2287	0.678	61	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CPtO)	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]C)	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CPtO){1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)(H){1|C<3>,1|H<1>,1|S<2>}	113.0430	0.717	2	113.0430	0.514	2	112.2287	0.678	61	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CReO)	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CReO){1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(H){2|C<3>}	111.6545	0.859	2	111.6545	0.738	2	112.2287	0.678	61	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CReO)	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]C)	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CReO){1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)(H){1|C<3>,1|H<1>,1|S<2>}	112.3395	0.903	2	112.3395	0.815	2	112.2287	0.678	61	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a,5a]H)(S[5a]C[5a,5a])(CC[6a]O)	S[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]C)	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]N[5a,5a]H)(S[5a]C[5a,5a])(CC[6a]O){1|C<3>,1|N<2>}	S[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]S[5a]C)(H){1|N<2>,2|C<3>}	112.5280	0.027	2	112.5280	0.001	2	112.5280	0.001	2	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:O-1:	C[5a](C[5a]N[5a,5a]O)(S[5a]C[5a,5a])(CC[6a]H)	S[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]C)	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]S[5a]C)(O)	C[5a](C[5a]N[5a,5a]O)(S[5a]C[5a,5a])(CC[6a]H){1|C<3>,1|N<2>}	S[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]C){1|O<1>,2|C<3>}	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]S[5a]C)(O){1|N<2>,2|C<3>}	111.8237	0.397	3	111.8237	0.158	3	111.9973	0.100	6	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:O-1:	C[5a](C[5a]N[5a,5a]O)(S[5a]C[5a,5a])(CC[6a]H)	S[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]C)	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]C)(O)	C[5a](C[5a]N[5a,5a]O)(S[5a]C[5a,5a])(CC[6a]H){2|N<2>}	S[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]C){1|C<3>,1|N<2>,1|O<1>}	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]C)(O){1|C<3>,1|N<2>}	112.1710	0.052	3	112.1710	0.003	3	111.9973	0.100	6	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(CC[6a]O)	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]C)	C[5a](C[5a,6]C[5a,6]C[3x6])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(CC[6a]O){1|C<3>,1|C<4>}	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5a](C[5a,6]C[5a,6]C[3x6])(C[5a]S[5a]C)(H){1|C<3>,1|C<4>,2|O<2>}	111.1910	0.000	1	111.1910	0.000	1	111.7024	0.210	7	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(CC[6a]O)	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]C)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(CC[6a]O){2|C<3>}	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]C){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]C)(H){1|O<1>,2|C<3>}	112.2635	0.156	2	112.2635	0.024	2	111.7024	0.210	7	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(COO)	S[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]C)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(COO){1|C<3>,1|C<4>}	S[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]C)(H){1|C<3>,1|C<4>,2|H<1>}	111.5120	0.341	3	111.5120	0.116	3	111.7024	0.210	7	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(COO)	S[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]C)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(COO){1|C<4>,1|N<3>}	S[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]C)(H){1|H<1>,1|N<3>,2|C<3>}	111.6630	0.000	1	111.6630	0.000	1	111.7024	0.210	7	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5a]-3:O-1:	C[5a](C[5a]N[5a,6]O)(S[5a]C[5a,6])(CCH)	S[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]S[5a]C)(O)	C[5a](C[5a]N[5a,6]O)(S[5a]C[5a,6])(CCH){1|C<4>,1|N<2>}	S[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]S[5a]C)(O){1|H<1>,1|N<2>,2|C<3>}	111.6060	0.000	1	111.6060	0.000	1	110.4279	0.214	26	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5a]-3:O-1:	C[5a](C[5a]N[5a,6]O)(S[5a]C[5a,6])(CC[5a]H)	S[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]S[5a]C)(O)	C[5a](C[5a]N[5a,6]O)(S[5a]C[5a,6])(CC[5a]H){1|C<4>,1|N<2>}	S[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]S[5a]C)(O){1|H<1>,1|N<2>,2|C<3>}	110.8690	0.000	1	110.8690	0.000	1	110.4279	0.214	26	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5a]-3:O-1:	C[5a](C[5a]N[5a,6]O)(S[5a]C[5a,6])(CC[6a]H)	S[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]S[5a]C)(O)	C[5a](C[5a]N[5a,6]O)(S[5a]C[5a,6])(CC[6a]H){1|C<4>,1|N<2>}	S[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]S[5a]C)(O){1|H<1>,1|N<2>,2|C<3>}	110.3214	0.250	19	110.2812	0.083	22	110.4279	0.214	26	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5a]-3:O-1:	C[5a](C[5a]N[5a,6]O)(S[5a]C[5a,6])(CC[6a]H)	S[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]S[5a]C)(O)	C[5a](C[5a]N[5a,6]O)(S[5a]C[5a,6])(CC[6a]H){1|C<4>,1|N<2>}	S[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]C){1|O<1>,2|C<4>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]S[5a]C)(O){1|C<4>,1|N<2>,2|H<1>}	109.7730	0.065	2	110.2812	0.083	22	110.4279	0.214	26	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5a]-3:O-1:	C[5a](C[5a]N[5a,6]O)(S[5a]C[5a,6])(CC[6a]H)	S[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]S[5a]C)(O)	C[5a](C[5a]N[5a,6]O)(S[5a]C[5a,6])(CC[6a]H){1|C<4>,1|N<3>}	S[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]C){1|Co<5>,1|O<1>,2|C<4>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]S[5a]C)(O){1|C<4>,1|N<3>,2|H<1>}	110.5350	0.000	1	110.2812	0.083	22	110.4279	0.214	26	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5a]-3:O-1:	C[5a](C[5a]N[5a,6]O)(S[5a]C[5a,6])(CC[6a]H)	S[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]N[6])(C[5a]S[5a]C)(O)	C[5a](C[5a]N[5a,6]O)(S[5a]C[5a,6])(CC[6a]H){1|N<2>,1|N<3>}	S[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]C){1|C<4>,1|N<3>,1|O<1>}	C[5a](N[5a,6]C[5a,6]N[6])(C[5a]S[5a]C)(O){1|C<4>,1|H<1>,1|N<2>}	111.2315	0.508	2	111.2315	0.258	2	110.4279	0.214	26	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:Cl-1:	C[5a](C[5a]C[5a,6a]Cl)(S[5a]C[5a,6a])(CNO)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(Cl)	C[5a](C[5a]C[5a,6a]Cl)(S[5a]C[5a,6a])(CNO){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|Cl<1>,1|H<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(Cl){1|H<1>,2|C<3>}	111.8830	0.341	2	111.8830	0.116	2	111.5498	0.221	5	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:Cl-1:	C[5a](C[5a]C[5a,6a]Cl)(S[5a]C[5a,6a])(COO)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(Cl)	C[5a](C[5a]C[5a,6a]Cl)(S[5a]C[5a,6a])(COO){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|Cl<1>,1|H<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(Cl){1|H<1>,2|C<3>}	111.3277	0.446	3	111.3277	0.199	3	111.5498	0.221	5	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CCC)	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CCC){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H){1|C<4>,2|C<3>}	112.0500	0.000	1	112.0500	0.000	1	112.6166	1.436	36	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CCC)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CCC){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H){1|C<4>,2|C<3>}	112.0590	0.000	1	111.5630	0.492	2	112.6166	1.436	36	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CCC)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CCC){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H){1|H<1>,2|C<3>}	111.0670	0.000	1	111.5630	0.492	2	112.6166	1.436	36	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CCH)	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CCH){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]C){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H){1|H<1>,2|C<3>}	111.0060	0.000	1	111.0060	0.000	1	112.6166	1.436	36	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CCH)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CCH){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H){1|H<1>,2|C<3>}	111.1884	1.002	5	111.1884	1.005	5	112.6166	1.436	36	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CCN)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CCN){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H){1|H<1>,2|C<3>}	112.9032	0.347	6	112.9032	0.121	6	112.6166	1.436	36	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CCO)	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CCO){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H){1|H<1>,2|C<3>}	112.5115	0.187	2	112.5115	0.035	2	112.6166	1.436	36	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CCO)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CCO){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]C)(H){3|C<3>}	112.6685	0.203	2	112.6685	0.041	2	112.6166	1.436	36	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CCO)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CCO){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H){1|H<1>,2|C<3>}	113.1580	0.000	1	113.1580	0.000	1	112.6166	1.436	36	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CC[5a]O)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CC[5a]O){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H){1|H<1>,2|C<3>}	113.3403	1.493	3	113.3403	2.229	3	112.6166	1.436	36	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CC[6a]O)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CC[6a]O){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H){1|H<1>,2|C<3>}	112.8260	0.000	1	112.8260	0.000	1	112.6166	1.436	36	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CCrO)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CCrO){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H){1|H<1>,2|C<3>}	111.0410	0.000	1	111.0410	0.000	1	112.6166	1.436	36	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CHN)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CHN){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H){1|O<2>,2|C<3>}	113.6380	0.000	1	112.9580	0.925	2	112.6166	1.436	36	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CHN)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CHN){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H){1|H<1>,2|C<3>}	112.2780	0.000	1	112.9580	0.925	2	112.6166	1.436	36	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CN[5]O)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CN[5]O){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H){1|H<1>,2|C<3>}	112.9975	0.060	2	112.9975	0.004	2	112.6166	1.436	36	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(COO)	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(COO){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]C){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a]S[5a]C)(H){1|C<4>,2|C<3>}	115.1255	0.245	2	115.1255	0.060	2	112.6166	1.436	36	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(COO)	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(COO){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H){1|H<1>,2|C<3>}	112.1450	0.000	1	112.1450	0.000	1	112.6166	1.436	36	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(COO)	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(COO){1|C<3>,1|N<2>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H){1|N<2>,2|C<3>}	113.8263	0.392	3	113.8263	0.154	3	112.6166	1.436	36	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(COW)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(COW){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H){1|H<1>,2|C<3>}	111.4640	0.000	1	111.4640	0.000	1	112.6166	1.436	36	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a]Br)(S[5a]C[5a])(CCO)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(Br)	C[5a](C[5a]C[5a]Br)(S[5a]C[5a])(CCO){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|Br<1>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(Br){1|H<1>}	109.2125	0.467	26	109.2125	0.219	26	109.3497	0.290	36	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a]Br)(S[5a]C[5a])(CCO)	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(Br)	C[5a](C[5a]C[5a]Br)(S[5a]C[5a])(CCO){1|Si<4>,1|H<1>}	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]C){1|Br<1>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(Br){1|Si<4>}	109.4405	0.056	6	109.4405	0.003	6	109.3497	0.290	36	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a]Br)(S[5a]C[5a])(COO)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(Br)	C[5a](C[5a]C[5a]Br)(S[5a]C[5a])(COO){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|Br<1>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(Br){1|H<1>}	109.7457	0.391	3	109.7457	0.153	3	109.3497	0.290	36	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a]Br)(S[5a]C[5a])(COO)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]S)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(Br)	C[5a](C[5a]C[5a]Br)(S[5a]C[5a])(COO){1|C<2>,1|S<2>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]S){1|Br<1>,1|C<2>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(Br){1|S<2>}	111.1860	0.000	1	111.1860	0.000	1	109.3497	0.290	36	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a](C[5a]C[5a]Cl)(S[5a]C[5a])(CCH)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]Cl)(C[5a]S[5a]C)(Cl)	C[5a](C[5a]C[5a]Cl)(S[5a]C[5a])(CCH){1|Cl<1>,1|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|Cl<1>}	C[5a](C[5a]C[5a]Cl)(C[5a]S[5a]C)(Cl){1|H<1>}	109.7260	0.000	1	109.7260	0.000	1	109.6238	0.160	6	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a](C[5a]C[5a]Cl)(S[5a]C[5a])(CCH)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(Cl)	C[5a](C[5a]C[5a]Cl)(S[5a]C[5a])(CCH){1|C<2>,1|N<2>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|Cl<1>,1|C<2>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(Cl){1|N<2>}	110.3340	0.000	1	110.3340	0.000	1	109.6238	0.160	6	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a](C[5a]C[5a]Cl)(S[5a]C[5a])(CNO)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(Cl)	C[5a](C[5a]C[5a]Cl)(S[5a]C[5a])(CNO){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|Cl<1>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(Cl){1|H<1>}	109.2690	0.000	1	109.2690	0.000	1	109.6238	0.160	6	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a](C[5a]C[5a]Cl)(S[5a]C[5a])(COO)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(Cl)	C[5a](C[5a]C[5a]Cl)(S[5a]C[5a])(COO){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|Cl<1>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(Cl){1|H<1>}	109.4713	0.214	3	109.4713	0.046	3	109.6238	0.160	6	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCC)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCC){1|C<3>,1|C<4>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(H){1|C<3>}	110.8360	0.331	2	110.8360	0.110	2	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCC)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCC){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	110.5619	0.324	10	110.6091	0.292	17	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCC)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCC){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	110.6764	0.782	7	110.6091	0.292	17	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCC)	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCC){1|Br<1>,1|H<1>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|Br<1>}	111.5390	0.000	1	111.5390	0.000	1	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCC)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCC){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	110.5728	0.468	5	110.5728	0.219	5	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCC)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCC){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	110.1630	0.300	4	110.0032	0.118	6	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCC)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCC){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<4>}	109.6835	0.122	2	110.0032	0.118	6	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCC)	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCC){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C){1|C<2>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	110.2880	0.000	2	110.6960	0.173	5	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCC)	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCC){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C){1|C<3>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	111.2710	0.000	1	110.6960	0.173	5	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCC)	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCC){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C){1|C<3>,1|S<4>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	110.8165	0.008	2	110.6960	0.173	5	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCC)	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCC){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	109.4712	1.038	5	109.4712	1.077	5	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCF)	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]O)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCF){1|Si<4>,1|O<2>}	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]C){1|H<1>,1|O<2>}	C[5a](C[5a]C[5a]O)(C[5a]S[5a]C)(H){1|Si<4>}	111.0690	0.000	1	111.0690	0.000	1	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCH)	S[5a](C[5a]C[3x3,4,3x5,14x6]C[5a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCH){1|C<5>,1|H<1>}	S[5a](C[5a]C[3x3,4,3x5,14x6]C[5a])(C[5a]C[5a]C){2|H<1>,4|B<6>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<5>}	110.8425	0.421	2	110.8425	0.177	2	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCH)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCH){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	110.3014	0.444	5	110.3014	0.197	5	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCH)	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCH){1|Br<1>,1|H<1>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|Br<1>}	110.1754	0.730	10	110.1754	0.533	10	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCH)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]Br)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCH){1|Br<1>,1|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|Br<1>,1|H<1>}	C[5a](C[5a]C[5a]Br)(C[5a]S[5a]C)(H){1|H<1>}	110.3723	0.098	3	110.3723	0.010	3	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCH)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCH){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	110.7194	0.927	47	110.7194	0.860	47	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCH)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCH){1|C<2>,1|N<2>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<2>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(H){1|N<2>}	110.8865	0.186	2	110.8865	0.035	2	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCH)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCH){1|H<1>,1|N<3>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|N<3>}	109.9724	0.596	14	109.9724	0.355	14	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCH)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]S)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCH){1|H<1>,1|S<2>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]S){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|S<2>}	109.9170	0.000	1	109.9170	0.000	1	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCH)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]Br)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCH){1|Br<1>,1|C<4>}	S[5a](C[5a]C[5a]C)2{1|Br<1>,1|H<1>}	C[5a](C[5a]C[5a]Br)(C[5a]S[5a]C)(H){1|C<4>}	110.5940	0.000	1	110.5940	0.000	1	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCH)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCH){1|C<3>,1|C<4>}	S[5a](C[5a]C[5a]C)2{1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(H){1|C<3>}	110.3670	0.000	1	110.3670	0.000	1	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCH)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCH){1|C<3>,1|C<4>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H){1|C<3>,2|C<4>}	110.1193	0.834	9	110.1193	0.696	9	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCH)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCH){1|C<2>,1|H<1>}	S[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<2>}	110.6353	0.377	3	109.5518	0.600	48	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCH)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCH){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	109.4008	0.788	34	109.5518	0.600	48	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCH)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCH){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<4>}	109.7233	0.528	11	109.5518	0.600	48	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCH)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]O)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCH){1|C<3>,1|O<2>}	S[5a](C[5a]C[5a]C)2{1|H<1>,1|O<2>}	C[5a](C[5a]C[5a]O)(C[5a]S[5a]C)(H){1|C<3>}	111.6470	0.000	1	111.6470	0.000	1	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCH)	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCH){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|O<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	110.8490	0.000	1	109.9799	0.226	10	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCH)	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCH){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	109.8833	0.386	9	109.9799	0.226	10	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCN)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCN){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	110.7444	0.675	33	110.7444	0.456	33	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCN)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCN){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<4>}	110.2020	0.199	2	110.2020	0.040	2	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCO)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCO){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	111.5635	0.066	2	111.5635	0.004	2	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCO)	S[5a](C[5a]C[5a]B[5])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCO){1|B<3>,1|H<1>}	S[5a](C[5a]C[5a]B[5])(C[5a]C[5a]C){2|H<1>,2|O<2>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|B<3>}	110.9380	0.000	1	110.9380	0.000	1	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCO)	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCO){1|Br<1>,1|H<1>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|Br<1>}	111.0576	0.423	11	111.0576	0.179	11	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCO)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCO){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(H){1|H<1>}	111.3053	0.192	3	111.3053	0.037	3	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCO)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCO){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	111.4751	0.956	66	111.4751	0.914	66	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCO)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]I)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCO){1|H<1>,1|I<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]I){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|I<1>}	110.7515	0.267	2	110.7515	0.071	2	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCO)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCO){1|C<4>,1|N<3>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(H){1|N<3>}	111.6320	0.000	1	111.6320	0.000	1	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCO)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCO){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	111.2165	0.235	2	111.0613	0.100	3	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCO)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCO){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<4>}	110.7510	0.000	1	111.0613	0.100	3	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCO)	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCO){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	110.7695	0.329	4	110.7695	0.108	4	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCO)	S[5a](C[5a]C[5a]Cl)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCO){1|Cl<1>,1|H<1>}	S[5a](C[5a]C[5a]Cl)(C[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|Cl<1>}	111.3767	0.318	6	111.3767	0.101	6	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCO)	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCO){1|Si<4>,1|H<1>}	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|Si<4>}	110.6735	0.115	2	110.6735	0.013	2	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCS)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCS){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	111.8090	0.000	1	111.8090	0.000	1	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCS)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCS){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	110.6170	0.000	1	110.6170	0.000	1	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]C)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]C){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	109.5730	0.000	1	109.5730	0.000	1	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]C)	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]C){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	110.5110	0.000	1	110.5110	0.000	1	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]H)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]Br)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]H){1|Br<1>,1|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|Br<1>,1|H<1>}	C[5a](C[5a]C[5a]Br)(C[5a]S[5a]C)(H){1|H<1>}	110.8870	0.000	1	110.8870	0.000	1	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]H)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]H){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	110.6094	0.514	10	110.6094	0.264	10	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]H)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]H){1|H<1>,1|N<3>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|N<3>}	108.9170	0.000	1	108.9170	0.000	1	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]H)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]H){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	111.9895	1.790	2	111.1093	3.926	3	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]H)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]H){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<4>}	109.3490	0.000	1	111.1093	3.926	3	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]H)	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]H){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	110.0998	0.418	5	110.0998	0.175	5	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]O)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]O){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	111.5380	0.829	4	111.5380	0.687	4	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]O)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]O){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	111.5970	0.000	1	111.5970	0.000	1	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]C)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]C){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	109.5860	1.340	6	109.5860	1.796	6	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]C)	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]C){1|Si<4>,1|H<1>}	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|Si<4>}	109.3079	0.760	8	109.3079	0.577	8	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]H)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]H){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	110.4150	0.000	1	110.4150	0.000	1	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]N)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]N){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	111.2910	1.099	2	111.2910	1.207	2	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]O)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]O){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	111.4984	0.539	13	111.4984	0.291	13	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]O)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]O){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	111.8280	0.000	1	111.8280	0.000	1	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6,6]H)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6,6]H){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	110.4744	0.288	5	110.4744	0.083	5	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6]H)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6]H){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	110.1030	0.000	1	110.1030	0.000	1	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6]H)	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6]H){1|Br<1>,1|H<1>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|Br<1>}	109.9412	0.190	4	109.9412	0.036	4	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6]H)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6]H){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	109.8628	0.194	5	109.8628	0.038	5	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6]H)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6]H){1|H<1>,1|N<3>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|N<3>}	108.5235	0.166	2	108.5235	0.028	2	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6]H)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6]H){1|C<2>,1|H<1>}	S[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<2>}	109.0670	0.000	1	109.0170	0.010	3	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6]H)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6]H){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<4>}	108.9920	0.124	2	109.0170	0.010	3	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6]N)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6]N){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	111.4010	0.000	1	111.4010	0.000	1	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6]O)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6]O){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	111.2996	0.550	11	111.2996	0.302	11	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6a]2)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]P)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6a]2){1|H<1>,1|P<2>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]P){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|P<2>}	108.3420	0.000	1	108.3420	0.000	1	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6a]2)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6a]2){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	107.8955	0.350	2	107.8955	0.123	2	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6a]C)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6a]C){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	112.7670	0.000	1	112.7670	0.000	1	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6a]C)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6a]C){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	109.6265	0.846	2	109.6265	0.716	2	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6a]H)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6a]H){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	109.7900	0.000	1	109.7900	0.000	1	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6a]O)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6a]O){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	111.1400	0.030	2	111.1400	0.001	2	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6a]O)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6a]O){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	111.4920	0.763	7	111.4920	0.583	7	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6a]O)	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6a]O){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	110.9140	0.000	1	110.9140	0.000	1	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHN)	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHN){1|Br<1>,1|H<1>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|Br<1>}	110.9453	0.409	4	110.9453	0.167	4	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHN)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]Br)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHN){1|Br<1>,1|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|Br<1>,1|H<1>}	C[5a](C[5a]C[5a]Br)(C[5a]S[5a]C)(H){1|H<1>}	111.4063	0.200	3	111.4063	0.040	3	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHN)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHN){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	111.1358	0.558	76	111.1358	0.311	76	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHN)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHN){1|H<1>,1|N<3>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|N<3>}	112.1516	0.283	11	112.1516	0.080	11	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHN)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHN){1|C<2>,1|H<1>}	S[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<2>}	111.3940	0.000	1	111.1702	0.327	28	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHN)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHN){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	111.5085	0.403	17	111.1702	0.327	28	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHN)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHN){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<4>}	110.5728	0.271	10	111.1702	0.327	28	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHN)	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHN){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	110.5090	0.000	1	110.5090	0.000	1	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHN)	S[5a](C[5a]C[5a]Cl)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHN){1|Cl<1>,1|H<1>}	S[5a](C[5a]C[5a]Cl)(C[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|Cl<1>}	111.1590	0.459	3	111.1590	0.211	3	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHO)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHO){1|C<3>,1|C<4>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(H){1|C<3>}	111.2258	0.190	4	111.2258	0.036	4	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHO)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHO){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	111.0662	0.331	4	111.3358	0.245	6	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHO)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHO){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	111.8750	0.164	2	111.3358	0.245	6	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHO)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]Br)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHO){1|Br<1>,1|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|Br<1>,1|H<1>}	C[5a](C[5a]C[5a]Br)(C[5a]S[5a]C)(H){1|H<1>}	112.2380	0.000	1	112.2380	0.000	1	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHO)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHO){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(H){1|H<1>,2|C<3>}	111.0960	0.553	2	111.0960	0.306	2	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHO)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHO){1|H<1>,1|N<3>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|N<3>}	111.4830	1.485	3	111.4830	2.205	3	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHO)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C[4])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHO){1|C<3>,1|C<4>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[4])(C[5a]S[5a]C)(H){1|C<3>,2|C<4>}	111.8040	0.000	1	111.8040	0.000	1	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHO)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHO){1|C<3>,1|C<4>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H){1|C<3>,1|C<4>,1|S<4>}	110.9840	0.000	1	111.1934	0.173	5	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHO)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHO){1|C<3>,1|C<4>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H){1|C<3>,2|C<4>}	111.2117	0.559	3	111.1934	0.173	5	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHO)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHO){1|C<3>,1|C<4>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H){1|C<4>,2|C<3>}	111.3480	0.000	1	111.1934	0.173	5	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHO)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHO){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	111.7402	0.499	5	111.7402	0.249	5	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHO)	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHO){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	111.0649	0.290	10	111.0649	0.084	10	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CNN)	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CNN){1|Br<1>,1|H<1>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|Br<1>}	111.4250	0.000	1	111.4250	0.000	1	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CNN)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CNN){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	110.2810	0.000	1	110.2810	0.000	1	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CNO)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CNO){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(H){1|H<1>}	111.1950	0.362	3	111.1950	0.131	3	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CNO)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CNO){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	111.5920	0.943	63	111.5920	0.889	63	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CNO)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CNO){1|C<3>,1|C<4>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H){1|C<3>,2|C<4>}	111.0306	0.850	14	111.0306	0.723	14	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CNO)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CNO){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	111.8283	0.575	15	111.7219	0.380	17	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CNO)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CNO){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<4>}	110.9240	0.007	2	111.7219	0.380	17	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CNO)	S[5a](C[5a]C[5a]Cl)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CNO){1|Cl<1>,1|H<1>}	S[5a](C[5a]C[5a]Cl)(C[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|Cl<1>}	110.8120	0.649	2	110.8120	0.421	2	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CN[5]H)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CN[5]H){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	110.3300	0.000	1	110.3300	0.000	1	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CN[5]O)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CN[5]O){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	111.2530	0.000	1	111.2530	0.000	1	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CN[6]O)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CN[6]O){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	111.1455	0.204	2	111.1455	0.042	2	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CN[6a]O)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CN[6a]O){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	110.9890	0.000	1	110.9890	0.000	1	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(COO)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(COO){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	111.5540	0.000	1	111.5540	0.000	1	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(COO)	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(COO){1|Br<1>,1|H<1>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|Br<1>}	111.9700	0.000	1	111.9700	0.000	1	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(COO)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(COO){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	112.6737	0.953	8	112.6737	0.908	8	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(COO)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(COO){1|H<1>,1|N<3>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|N<3>}	112.2130	0.000	1	112.2130	0.000	1	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(COO)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C[6])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(COO){1|C<3>,1|C<4>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[6])(C[5a]S[5a]C)(H){1|C<4>,2|C<3>}	111.5577	0.292	4	111.5577	0.085	4	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(COO)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(COO){1|C<3>,1|C<4>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(H){1|C<4>,2|C<3>}	111.5700	0.000	1	111.5700	0.000	1	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(COO)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(COO){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	111.4130	0.894	23	111.3661	0.769	25	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(COO)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(COO){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<4>}	110.8270	0.496	2	111.3661	0.769	25	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(COO)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]O)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(COO){1|C<3>,1|O<2>}	S[5a](C[5a]C[5a]C)2{1|H<1>,1|O<2>}	C[5a](C[5a]C[5a]O)(C[5a]S[5a]C)(H){1|C<3>}	113.4290	0.072	2	113.4290	0.005	2	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(COO)	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(COO){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	111.6065	0.235	2	111.6065	0.055	2	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(COO)	S[5a](C[5a]C[5a]Cl)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(COO){1|Cl<1>,1|H<1>}	S[5a](C[5a]C[5a]Cl)(C[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|Cl<1>}	111.5340	0.168	2	111.5340	0.028	2	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(COO)	S[5a](C[5a]C[5a]Pd)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]Br)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(COO){1|Br<1>,1|Pd<4>}	S[5a](C[5a]C[5a]Pd)(C[5a]C[5a]C){1|Br<1>,1|H<1>}	C[5a](C[5a]C[5a]Br)(C[5a]S[5a]C)(H){1|Pd<4>}	111.5820	0.000	1	111.5820	0.000	1	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(COS)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(COS){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	110.6380	0.000	1	110.6380	0.000	1	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(COW)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(COW){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	108.9520	0.000	1	109.3160	0.265	2	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(COW)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(COW){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	109.6800	0.000	1	109.3160	0.265	2	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(COW)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(COW){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	110.5665	0.267	2	110.5665	0.071	2	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CReO)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CReO){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	109.6290	0.000	1	109.6290	0.000	1	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CReO)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CReO){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	110.1310	0.000	1	110.1310	0.000	1	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CReO)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CReO){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	110.4840	0.491	2	110.4840	0.241	2	110.9179	1.015	767	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:O-1:	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CCH)	S[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	C[5a](C[5a]S[5a]C)(N[5a]C[5a]C)(O)	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CCH){1|C<3>,1|C<4>}	S[5a](C[5a]C[5a]C)(C[5a]N[5a]C){1|C<4>,1|O<1>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a]C)(O){1|C<3>}	111.2840	0.000	1	111.2840	0.000	1	109.7597	0.539	41	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:O-1:	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CCH)	S[5a](C[5a]C[5a]C)(C[5a]N[5a]N)	C[5a](C[5a]S[5a]C)(N[5a]C[5a]C)(O)	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CCH){1|C<4>,1|N<2>}	S[5a](C[5a]C[5a]C)(C[5a]N[5a]N){1|C<4>,1|O<1>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a]C)(O){1|N<2>}	111.7040	0.000	1	111.7040	0.000	1	109.7597	0.539	41	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:O-1:	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CCH)	S[5a](C[5a]C[5a]C)(C[5a]N[5a]N)	C[5a](C[5a]S[5a]C)(N[5a]C[5a]N)(O)	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CCH){2|N<2>}	S[5a](C[5a]C[5a]C)(C[5a]N[5a]N){1|N<2>,1|O<1>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a]N)(O){1|N<2>}	111.8210	0.000	1	111.8210	0.000	1	109.7597	0.539	41	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:O-1:	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CCH)	S[5a](C[5a]C[5a]C)(C[5a]N[5a]S)	C[5a](C[5a]S[5a]C)(N[5a]C[5a]C)(O)	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CCH){1|C<4>,1|S<1>}	S[5a](C[5a]C[5a]C)(C[5a]N[5a]S){1|C<4>,1|O<1>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a]C)(O){1|S<1>}	109.4621	0.418	13	109.4621	0.175	13	109.7597	0.539	41	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:O-1:	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CCN)	S[5a](C[5a]C[5a]C)(C[5a]N[5a]S)	C[5a](C[5a]S[5a]C)(N[5a]C[5a]C)(O)	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CCN){1|C<4>,1|S<1>}	S[5a](C[5a]C[5a]C)(C[5a]N[5a]S){1|C<4>,1|O<1>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a]C)(O){1|S<1>}	110.1430	0.000	1	110.1430	0.000	1	109.7597	0.539	41	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:O-1:	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[5a]H)	S[5a](C[5a]C[5a]C)(C[5a]N[5a]S)	C[5a](C[5a]S[5a]C)(N[5a]C[5a]C)(O)	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[5a]H){1|C<4>,1|S<1>}	S[5a](C[5a]C[5a]C)(C[5a]N[5a]S){1|C<4>,1|O<1>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a]C)(O){1|S<1>}	109.8580	0.000	1	109.8580	0.000	1	109.7597	0.539	41	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:O-1:	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[5a]H)	S[5a](C[5a]C[5a]C)(C[5a]N[5a]S)	C[5a](C[5a]S[5a]C)(N[5a]C[5a]H)(O)	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[5a]H){1|H<1>,1|S<1>}	S[5a](C[5a]C[5a]C)(C[5a]N[5a]S){1|H<1>,1|O<1>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a]H)(O){1|S<1>}	109.6280	0.000	1	109.6280	0.000	1	109.7597	0.539	41	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:O-1:	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[6a]H)	S[5a](C[5a]C[5a]C)(C[5a]N[5a]N)	C[5a](C[5a]S[5a]C)(N[5a]C[5a]C)(O)	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[6a]H){1|C<4>,1|N<2>}	S[5a](C[5a]C[5a]C)(C[5a]N[5a]N){1|C<4>,1|O<1>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a]C)(O){1|N<2>}	110.8120	0.000	1	110.8120	0.000	1	109.7597	0.539	41	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:O-1:	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[6a]H)	S[5a](C[5a]C[5a]C)(C[5a]N[5a]N)	C[5a](C[5a]S[5a]C)(N[5a]C[5a]H)(O)	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[6a]H){1|H<1>,1|N<2>}	S[5a](C[5a]C[5a]C)(C[5a]N[5a]N){1|H<1>,1|O<1>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a]H)(O){1|N<2>}	110.1430	0.000	1	110.1430	0.000	1	109.7597	0.539	41	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:O-1:	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[6a]H)	S[5a](C[5a]C[5a]C)(C[5a]N[5a]S)	C[5a](C[5a]S[5a]C)(N[5a]C[5a]C)(O)	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[6a]H){1|C<4>,1|S<1>}	S[5a](C[5a]C[5a]C)(C[5a]N[5a]S){1|C<4>,1|O<1>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a]C)(O){1|S<1>}	109.7360	0.375	6	109.7360	0.140	6	109.7597	0.539	41	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:O-1:	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[6a]H)	S[5a](C[5a]C[5a]C)(C[5a]N[5a]S)	C[5a](C[5a]S[5a]C)(N[5a]C[5a]H)(O)	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[6a]H){1|H<1>,1|S<1>}	S[5a](C[5a]C[5a]C)(C[5a]N[5a]S){1|H<1>,1|O<1>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a]H)(O){1|S<1>}	109.2983	0.265	12	109.2983	0.070	12	109.7597	0.539	41	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:O-1:	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CHN)	S[5a](C[5a]C[5a]C)(C[5a]N[5a]N)	C[5a](C[5a]S[5a]C)(N[5a]C[5a]H)(O)	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CHN){1|H<1>,1|N<2>}	S[5a](C[5a]C[5a]C)(C[5a]N[5a]N){1|H<1>,1|O<1>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a]H)(O){1|N<2>}	110.8765	0.026	2	110.8765	0.001	2	109.7597	0.539	41	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:O-1:	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CCH)	S[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C[6a])(C[5a]S[5a]C)(O)	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CCH){2|C<3>}	S[5a](C[5a]C[5a]C)(C[5a]N[5a]C){1|C<3>,1|O<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]S[5a]C)(O){3|C<3>}	111.7155	0.305	2	111.7155	0.093	2	110.9635	0.868	19	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:O-1:	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CCH)	S[5a](C[5a]C[5a]C)(C[5a]N[5a]N)	C[5a](N[5a]C[5a]C[6a])(C[5a]S[5a]C)(O)	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CCH){1|C<3>,1|N<2>}	S[5a](C[5a]C[5a]C)(C[5a]N[5a]N){1|C<3>,1|O<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]S[5a]C)(O){1|N<2>,2|C<3>}	111.6839	0.309	8	111.6839	0.096	8	110.9635	0.868	19	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:O-1:	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[6a]H)	S[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C[6a])(C[5a]S[5a]C)(O)	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[6a]H){2|C<3>}	S[5a](C[5a]C[5a]C)(C[5a]N[5a]C){1|C<3>,1|O<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]S[5a]C)(O){3|C<3>}	110.5895	0.046	2	110.5895	0.002	2	110.9635	0.868	19	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:O-1:	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[6a]H)	S[5a](C[5a]C[5a]C)(C[5a]N[5a]N)	C[5a](N[5a]C[5a]C[6a])(C[5a]S[5a]C)(O)	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[6a]H){1|C<3>,1|N<2>}	S[5a](C[5a]C[5a]C)(C[5a]N[5a]N){1|C<3>,1|O<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]S[5a]C)(O){1|N<2>,2|C<3>}	110.7583	0.444	3	110.7583	0.197	3	110.9635	0.868	19	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:O-1:	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[6a]H)	S[5a](C[5a]C[5a]C)(C[5a]N[5a]S)	C[5a](N[5a]C[5a]C[6a])(C[5a]S[5a]C)(O)	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[6a]H){1|C<3>,1|S<1>}	S[5a](C[5a]C[5a]C)(C[5a]N[5a]S){1|C<3>,1|O<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]S[5a]C)(O){1|S<1>,2|C<3>}	109.4875	0.138	4	109.4875	0.019	4	110.9635	0.868	19	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[5]-3:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(C[5]C[5]S[5])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[5])	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C[5])(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>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[5]){1|S<2>,1|S<4>,2|C<3>,2|H<1>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C[5])(H){1|S<4>,3|C<3>}	112.3620	0.000	1	112.3620	0.000	1	112.3620	0.000	1	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[5]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[5]C[5]2)	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]2)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[5]C[5]2){3|C<3>,3|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]2){1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){3|C<3>}	110.2500	0.000	1	110.2500	0.000	1	111.0012	0.517	22	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[5]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[5]C[5]2)	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	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>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<3>,1|C<4>,2|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>}	110.3950	0.000	1	110.7087	0.706	8	111.0012	0.517	22	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[5]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[5]C[5]2)	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	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>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){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>}	110.9622	1.092	4	110.7087	0.706	8	111.0012	0.517	22	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[5]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[5]C[5]2)	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	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>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){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>}	111.2240	0.000	1	110.7087	0.706	8	111.0012	0.517	22	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[5]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[5]C[5]2)	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[5]C[5]2){3|C<3>,3|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){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>}	110.1010	0.038	2	110.7087	0.706	8	111.0012	0.517	22	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[5]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[5]N[5]2)	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]2)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	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>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]2){1|C<3>,1|S<2>,2|H<1>,2|N<3>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){1|C<3>,2|N<3>}	111.4728	0.528	6	111.4728	0.279	6	111.0012	0.517	22	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[5]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[5]N[5]2)	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	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>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|N<2>,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>}	110.7580	0.000	1	111.2276	0.096	5	111.0012	0.517	22	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[5]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[5]N[5]2)	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[5]N[5]2){2|C<4>,2|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){2|H<1>,2|N<2>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){1|H<1>,2|N<2>}	111.2590	0.000	1	111.2276	0.096	5	111.0012	0.517	22	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[5]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[5]N[5]2)	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[5]N[5]2){2|C<4>,3|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|N<2>,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>}	111.2910	0.000	1	111.2276	0.096	5	111.0012	0.517	22	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[5]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[5]N[5]2)	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[5]N[5]2){2|C<4>,4|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){2|H<1>,2|N<3>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){1|H<1>,2|N<3>}	111.4150	0.294	2	111.2276	0.096	5	111.0012	0.517	22	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[5]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[5]N[5]2)	S[5a](C[5a]C[5a]C[5])2	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[5]N[5]2){1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[5])2{2|H<1>,4|N<2>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){1|C<3>,2|N<2>}	110.5660	0.957	2	110.5660	0.917	2	111.0012	0.517	22	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[5]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:O-1:	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(C[5]C[5]2)	S[5a](C[5a]C[5a]C[5])(C[5a]N[5a]S)	C[5a](C[5a]S[5a]C[5])(N[5a]C[5a]H)(O)	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>}	S[5a](C[5a]C[5a]C[5])(C[5a]N[5a]S){1|H<1>,1|O<1>,2|C<4>}	C[5a](C[5a]S[5a]C[5])(N[5a]C[5a]H)(O){1|S<1>,2|C<4>}	109.8150	0.000	1	109.8150	0.000	1	109.8150	0.000	1	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(C[6]C[6]2)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[6])(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(C[6]C[6]2){2|C<3>,2|C<4>,3|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[6])(H){1|C<4>,1|H<1>,3|C<3>}	112.1810	0.000	1	112.6485	0.437	2	113.9357	5.697	4	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(C[6]C[6]2)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[6])(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(C[6]C[6]2){2|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6]){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[6])(H){1|H<1>,4|C<3>}	113.1160	0.000	1	112.6485	0.437	2	113.9357	5.697	4	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(C[6]N[6]O[6])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[6])(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(C[6]N[6]O[6]){1|C<4>,1|N<3>,2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6]){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[6])(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	117.4620	0.000	1	117.4620	0.000	1	113.9357	5.697	4	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(C[6]N[6]S[6])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[6])(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(C[6]N[6]S[6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6]){1|N<2>,1|S<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[6])(H){1|H<1>,1|N<2>,1|S<3>,2|C<3>}	112.9840	0.000	1	112.9840	0.000	1	113.9357	5.697	4	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2)	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]2)	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2){3|C<3>,3|H<1>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]2){1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H){3|C<3>}	109.9360	0.253	2	109.9360	0.064	2	110.7927	2.060	28	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2)	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2){1|C<4>,2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>}	109.7120	0.000	1	109.7120	0.000	1	110.7927	2.060	28	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2)	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]Br)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2){1|Br<1>,2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|Br<1>,1|H<1>,2|C<3>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]Br)(H){1|H<1>,2|C<3>}	110.6980	0.294	4	110.6980	0.087	4	110.7927	2.060	28	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2)	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2){1|C<3>,1|C<4>,2|C<2>,4|H<1>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){2|C<4>,2|H<1>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H){1|H<1>,2|C<4>}	110.3940	0.000	1	110.9951	1.788	10	110.7927	2.060	28	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2)	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2){1|C<3>,1|C<4>,5|H<1>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|C<4>,2|H<1>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|H<1>}	110.1140	0.000	1	110.9951	1.788	10	110.7927	2.060	28	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2)	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2){1|C<3>,1|N<3>,4|H<1>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	111.3623	1.653	4	110.9951	1.788	10	110.7927	2.060	28	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2)	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2){2|C<3>,4|H<1>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	110.2797	0.085	3	110.9951	1.788	10	110.7927	2.060	28	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2)	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2){3|C<3>,3|H<1>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	113.1550	0.000	1	110.9951	1.788	10	110.7927	2.060	28	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2)	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]N)	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2){1|N<2>,2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]N){2|C<3>,2|H<1>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H){1|N<2>,2|C<3>}	109.6550	0.000	1	109.7612	0.757	6	110.7927	2.060	28	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2)	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]N)	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2){1|N<3>,2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]N){2|C<3>,2|H<1>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H){1|N<3>,2|C<3>}	109.7824	0.971	5	109.7612	0.757	6	110.7927	2.060	28	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2)	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]N[6])	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]N[6]){1|C<3>,2|H<1>,3|C<4>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|N<3>}	109.6020	0.000	1	109.6020	0.000	1	110.7927	2.060	28	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]N[6]2)	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]N[6]2){1|C<3>,1|S<2>,2|H<1>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){2|H<1>,2|N<2>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H){1|H<1>,2|N<2>}	114.1610	0.000	2	112.9250	2.115	4	110.7927	2.060	28	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]N[6]2)	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]N[6]2){1|C<3>,1|S<2>,3|H<1>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H){1|H<1>,1|N<2>,1|N<3>}	111.3470	0.000	1	112.9250	2.115	4	110.7927	2.060	28	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]N[6]2)	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]N[6]2){1|C<3>,1|S<3>,3|H<1>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H){1|H<1>,1|N<2>,1|N<3>}	112.0310	0.000	1	112.9250	2.115	4	110.7927	2.060	28	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:O-1:	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(C[6]C[6]2)	S[5a](C[5a]C[5a]C[6])(C[5a]N[5a]S)	C[5a](C[5a]S[5a]C[6])(N[5a]C[5a]H)(O)	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(C[6]C[6]2){1|S<1>,2|C<4>,5|H<1>}	S[5a](C[5a]C[5a]C[6])(C[5a]N[5a]S){1|H<1>,1|O<1>,2|C<4>}	C[5a](C[5a]S[5a]C[6])(N[5a]C[5a]H)(O){1|S<1>,2|C<4>}	108.2820	0.000	1	108.2820	0.000	1	108.2820	0.000	1	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(C[6a]C[6a]2)	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C[6a])	C[5a](C[5,5a]C[5,5a]As[5])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(C[6a]C[6a]2){1|As<3>,2|H<1>,3|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C[6a]){1|As<3>,1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5,5a]C[5,5a]As[5])(C[5a]C[6a]S[5a])(H){5|C<3>}	110.6908	0.538	4	110.6908	0.289	4	111.1665	0.278	26	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(C[6a]C[6a]2)	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C[6a])	C[5a](C[5,5a]C[5,5a]C[5,5])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(C[6a]C[6a]2){1|C<4>,2|F<1>,3|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5,5a]C[5,5a]C[5,5])(C[5a]C[6a]S[5a])(H){2|O<2>,4|C<3>}	110.9113	0.179	3	110.7872	0.052	5	111.1665	0.278	26	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(C[6a]C[6a]2)	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C[6a])	C[5a](C[5,5a]C[5,5a]C[5,5])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5,5a]C[5,5a]C[5,5])(C[5a]C[6a]S[5a])(H){2|O<2>,4|C<3>}	110.6010	0.171	2	110.7872	0.052	5	111.1665	0.278	26	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(C[6a]C[6a]2)	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C[6a])	C[5a](C[5,5a]C[5,5a]C[5,6])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5,5a]C[5,5a]C[5,6])(C[5a]C[6a]S[5a])(H){1|N<3>,5|C<3>}	111.2770	0.000	1	111.2770	0.000	1	111.1665	0.278	26	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(C[6a]C[6a]2)	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C[6a])	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(C[6a]C[6a]2){2|F<1>,4|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[6a]S[5a])(H){5|C<3>}	111.1910	0.246	4	111.2463	0.060	7	111.1665	0.278	26	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(C[6a]C[6a]2)	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C[6a])	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C[6a]){1|H<1>,1|S<2>,4|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>}	111.5880	0.000	1	111.2463	0.060	7	111.1665	0.278	26	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(C[6a]C[6a]2)	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C[6a])	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[6a]S[5a])(H){5|C<3>}	111.1860	0.205	2	111.2463	0.060	7	111.1665	0.278	26	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(C[6a]C[6a]2)	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C[6a])	C[5a](C[5,5a]C[5,5a]Ge[5])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(C[6a]C[6a]2){1|Ge<4>,2|H<1>,3|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C[6a]){1|Ge<4>,1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5,5a]C[5,5a]Ge[5])(C[5a]C[6a]S[5a])(H){6|C<3>}	110.7420	0.000	1	110.7420	0.000	1	111.1665	0.278	26	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(C[6a]C[6a]2)	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C[6a])	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(C[6a]C[6a]2){1|S<4>,2|H<1>,3|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C[6a]){1|H<1>,1|S<2>,1|S<4>,3|C<3>}	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]C[6a]S[5a])(H){2|O<1>,4|C<3>}	111.5490	0.089	2	111.5490	0.008	2	111.1665	0.278	26	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(C[6a]C[6a]2)	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C[6a])	C[5a](C[5,5a]C[5,5a]Si[5])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(C[6a]C[6a]2){1|Si<4>,2|H<1>,3|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]C[6a]){1|Si<4>,1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5,5a]C[5,5a]Si[5])(C[5a]C[6a]S[5a])(H){6|C<3>}	110.6150	0.000	1	110.6150	0.000	1	111.1665	0.278	26	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(C[6a]C[6a]2)	S[5a](C[5,5a]C[5,5a]C[5,6])(C[5a]C[5a]C[6a])	C[5a](C[5,5a]C[5,5a]2)(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	S[5a](C[5,5a]C[5,5a]C[5,6])(C[5a]C[5a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	C[5a](C[5,5a]C[5,5a]2)(C[5a]C[6a]S[5a])(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	111.5890	0.000	1	111.5890	0.000	1	111.1665	0.278	26	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(C[6a]C[6a]2)	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]C[6a])	C[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[6a]S[5a])(H){5|C<3>}	111.5730	0.000	1	111.5730	0.000	1	111.1665	0.278	26	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(C[6a]C[6a]2)	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]C[6a])	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]C[6a]){2|C<3>,2|C<4>,3|H<1>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[6a]S[5a])(H){1|C<2>,2|C<3>,3|C<4>}	111.6320	0.000	1	111.6895	0.007	2	111.1665	0.278	26	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(C[6a]C[6a]2)	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]C[6a])	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[6a]S[5a])(H){5|C<3>}	111.7470	0.000	1	111.6895	0.007	2	111.1665	0.278	26	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(C[6a]C[6a]2)	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]C[6a])	C[5a](C[5,5a]C[5,5a]N[5])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5,5a]C[5,5a]N[5])(C[5a]C[6a]S[5a])(H){1|H<1>,4|C<3>}	112.6320	0.000	1	112.6320	0.000	1	111.1665	0.278	26	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a,5a]Br)(S[5a]C[5a,5a])(C[6a]C[6a]2)	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a])	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[6a]S[5a])(Br)	C[5a](C[5a]C[5a,5a]Br)(S[5a]C[5a,5a])(C[6a]C[6a]2){1|S<2>,2|H<1>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a]){2|Br<1>,1|S<2>,3|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[6a]S[5a])(Br){4|C<3>}	111.1550	0.000	1	111.1550	0.000	1	111.1550	0.000	1	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(C[6a]C[6a]2)	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]C[6a])	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]C[6a]){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]S[5a])(H){5|C<3>}	112.5955	0.059	2	112.5955	0.003	2	111.9617	0.280	19	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(C[6a]C[6a]2)	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]C[6a])	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(C[6a]C[6a]2){1|S<2>,2|F<1>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]C[6a]){1|H<1>,2|S<2>,3|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[6a]S[5a])(H){4|C<3>}	111.4090	0.000	1	111.4848	0.090	5	111.9617	0.280	19	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(C[6a]C[6a]2)	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]C[6a])	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(C[6a]C[6a]2){1|S<2>,2|H<1>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]C[6a]){1|H<1>,2|S<2>,3|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[6a]S[5a])(H){4|C<3>}	111.5037	0.343	4	111.4848	0.090	5	111.9617	0.280	19	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(C[6a]C[6a]2)	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]C[6a])	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]S[5a])(H){1|C<4>,4|C<3>}	112.1370	0.000	1	112.1370	0.000	1	111.9617	0.280	19	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(C[6a]C[6a]2)	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]C[6a])	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(C[6a]C[6a]2){1|S<2>,2|H<1>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[6a]S[5a])(H){4|C<3>}	111.6350	0.000	1	111.6350	0.000	1	111.9617	0.280	19	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(C[6a]C[6a]2)	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a])	C[5a](C[5a,5a]C[5a,5a]N[5a,5a])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a,5a]C[5a,5a]N[5a,5a])(C[5a]C[6a]S[5a])(H){5|C<3>}	111.7470	0.000	1	111.7470	0.000	1	111.9617	0.280	19	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(C[6a]C[6a]2)	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a])	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]S[5a])(H){1|H<1>,4|C<3>}	112.4520	0.000	1	112.3427	0.169	3	111.9617	0.280	19	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(C[6a]C[6a]2)	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a])	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]S[5a])(H){1|C<4>,4|C<3>}	112.2880	0.566	2	112.3427	0.169	3	111.9617	0.280	19	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(C[6a]C[6a]2)	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a])	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(C[6a]C[6a]2){1|C<3>,1|S<2>,2|H<1>,2|N<2>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a]){1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[6a]S[5a])(H){4|C<3>}	112.7970	0.000	1	112.7970	0.000	1	111.9617	0.280	19	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(C[6a]C[6a]2)	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]C[6a])	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]S[5a])(H){1|N<3>,4|C<3>}	112.4710	0.000	1	112.4710	0.000	1	111.9617	0.280	19	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(C[6a]C[6a]2)	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]C[6a])	C[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(C[6a]C[6a]2){1|S<2>,2|H<1>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]C[6a]){1|H<1>,4|C<3>}	C[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[6a]S[5a])(H){1|S<2>,4|C<3>}	111.8290	0.451	3	111.8290	0.204	3	111.9617	0.280	19	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(C[6a]C[6a]2)	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]C[6a])	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(C[6a]C[6a]2){1|S<2>,2|F<1>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]C[6a]){1|H<1>,4|C<3>}	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]S[5a])(H){1|S<2>,4|C<3>}	111.3550	0.000	1	111.3550	0.000	1	111.9617	0.280	19	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(C[6a]C[6a]2)	S[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]C[6a])	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	S[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]S[5a])(H){1|C<4>,2|H<1>,3|C<3>}	109.9940	0.000	1	109.9940	0.000	1	110.8130	0.504	3	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(C[6a]C[6a]2)	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(C[6a]C[6a]2){2|H<1>,4|C<3>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]S[5a])(H){1|N<3>,1|O<1>,3|C<3>}	111.1930	0.000	1	111.2225	0.002	2	110.8130	0.504	3	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(C[6a]C[6a]2)	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(C[6a]C[6a]2){2|H<1>,4|C<3>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a]){1|H<1>,1|O<1>,4|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]S[5a])(H){1|N<3>,1|O<1>,3|C<3>}	111.2520	0.000	1	111.2225	0.002	2	110.8130	0.504	3	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(C[6a]C[6a]2)	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(H){1|Br<1>,4|C<3>}	110.9560	0.000	1	110.8777	0.124	6	111.4548	2.210	12	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(C[6a]C[6a]2)	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(H){1|H<1>,4|C<3>}	110.8620	0.391	5	110.8777	0.124	6	111.4548	2.210	12	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(C[6a]C[6a]2)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a]C[6a]S[5a])(H){1|C<4>,4|C<3>}	111.0430	0.641	2	111.0430	0.410	2	111.4548	2.210	12	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(C[6a]C[6a]2)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]S[5a])(H){5|C<3>}	110.8170	0.000	1	110.8170	0.000	1	111.4548	2.210	12	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(C[6a]C[6a]2)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<2>,1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(H){1|O<2>,4|C<3>}	111.3730	0.000	1	113.6650	10.507	2	111.4548	2.210	12	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(C[6a]C[6a]2)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(H){1|H<1>,4|C<3>}	115.9570	0.000	1	113.6650	10.507	2	111.4548	2.210	12	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(C[6a]C[6a]2)	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a]){1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(H){1|C<4>,2|C<3>,2|N<2>}	111.9590	0.000	1	111.9590	0.000	1	111.4548	2.210	12	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(NCC)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(NCC){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(H){1|C<3>}	111.2723	0.445	13	111.2723	0.198	13	112.4249	2.968	64	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(NCC)	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(NCC){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]N){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(H){1|C<3>}	110.7240	0.000	1	110.7240	0.000	1	112.4249	2.968	64	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(NCC)	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(NCC){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(H){1|C<3>}	110.4610	0.250	2	110.4610	0.063	2	112.4249	2.968	64	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(NCH)	S[5a](C[5a]C[5a]H)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(NCH){2|H<1>}	S[5a](C[5a]C[5a]H)(C[5a]C[5a]N){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(H){1|H<1>}	111.4990	0.000	1	111.4990	0.000	1	112.4249	2.968	64	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(NC[6a]2)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(NC[6a]2){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]N){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(H){1|C<3>}	110.9230	0.000	1	110.9230	0.000	1	112.4249	2.968	64	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(NC[6a]2)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(NC[6a]2){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(H){1|C<3>}	110.9243	0.335	4	110.9243	0.112	4	112.4249	2.968	64	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(NC[6a]2)	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(NC[6a]2){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]N){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(H){1|C<3>}	110.9355	0.800	4	110.9355	0.641	4	112.4249	2.968	64	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(NC[6a]2)	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(NC[6a]2){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(H){1|C<3>}	111.2971	0.236	10	111.2473	0.077	11	112.4249	2.968	64	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(NC[6a]2)	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(NC[6a]2){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N){2|H<1>,2|N<2>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(H){1|C<3>}	110.7490	0.000	1	111.2473	0.077	11	112.4249	2.968	64	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(NC[6a]C)	S[5a](C[5a]C[5a]Cl)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(NC[6a]C){1|Cl<1>,1|H<1>}	S[5a](C[5a]C[5a]Cl)(C[5a]C[5a]N){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(H){1|Cl<1>}	112.2960	0.000	1	112.2960	0.000	1	112.4249	2.968	64	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(NC[6a]C)	S[5a](C[5a]C[5a]H)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(NC[6a]C){2|H<1>}	S[5a](C[5a]C[5a]H)(C[5a]C[5a]N){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(H){1|H<1>}	111.2580	0.000	1	111.2580	0.000	1	112.4249	2.968	64	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(NOO)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(NOO){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]N){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(H){1|C<3>}	113.5345	0.735	6	113.5345	0.541	6	112.4249	2.968	64	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(NOO)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(NOO){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(H){1|C<3>}	114.5118	0.573	15	114.4813	0.322	16	112.4249	2.968	64	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(NOO)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(NOO){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(H){1|C<4>}	114.0240	0.000	1	114.4813	0.322	16	112.4249	2.968	64	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(NOO)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]N)(C[5a]S[5a]N)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(NOO){1|C<3>,1|N<3>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]N)(C[5a]S[5a]N)(H){1|C<3>}	116.2235	0.446	2	116.2235	0.199	2	112.4249	2.968	64	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(NOO)	S[5a](C[5a]C[5a]I)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(NOO){1|H<1>,1|I<1>}	S[5a](C[5a]C[5a]I)(C[5a]C[5a]N){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(H){1|I<1>}	114.5180	0.000	1	114.5180	0.000	1	112.4249	2.968	64	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:N[5]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(N[5]C[5]2)	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5])	C[5a](C[5a]S[5a]N[5])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(N[5]C[5]2){1|C<3>,2|C<4>,5|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5]){2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]S[5a]N[5])(C[5a]C[5a]H)(H){1|C<3>,2|C<4>}	111.0050	0.000	1	111.0050	0.000	1	110.9455	0.007	2	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:N[5]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(N[5]C[5]2)	S[5a](C[5a]C[5a]N[5])(C[5a]C[5a]Br)	C[5a](C[5a]S[5a]N[5])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(N[5]C[5]2){1|Br<1>,1|H<1>,2|C<4>,2|O<1>}	S[5a](C[5a]C[5a]N[5])(C[5a]C[5a]Br){2|C<3>,2|H<1>}	C[5a](C[5a]S[5a]N[5])(C[5a]C[5a]H)(H){1|Br<1>,2|C<3>}	110.8860	0.000	1	110.8860	0.000	1	110.9455	0.007	2	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:N[6]-3:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(N[6]C[6]2)	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]N[6])	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]N[6])(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(N[6]C[6]2){1|C<3>,1|S<2>,2|C<4>,4|H<1>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]N[6]){1|H<1>,1|S<2>,2|C<3>,2|C<4>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]N[6])(H){2|C<3>,2|C<4>}	112.6820	0.000	1	112.6820	0.000	1	112.6820	0.000	1	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:N[6]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(N[6]C[6]2)	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]N[6])	C[5a](C[5a]S[5a]N[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(N[6]C[6]2){1|C<3>,2|C<4>,5|H<1>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]N[6]){1|C<3>,2|H<1>,3|C<4>}	C[5a](C[5a]S[5a]N[6])(C[5a]C[5a]H)(H){1|C<3>,2|C<4>}	110.4920	0.000	1	110.4920	0.000	1	110.4920	0.000	1	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:P-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(PCO)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]P)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(PCO){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P){2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]P)(H){1|H<1>,2|C<3>}	112.8070	0.000	1	112.8070	0.000	1	112.8070	0.000	1	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:P-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PC[5a]2)	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]P)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PC[5a]2){1|Br<1>,1|H<1>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]P){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(H){1|Br<1>}	109.6847	0.865	3	109.6847	0.749	3	110.3692	2.779	10	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:P-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PC[5a]P)	S[5a](C[5a]C[5a]H)(C[5a]C[5a]P)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PC[5a]P){2|H<1>}	S[5a](C[5a]C[5a]H)(C[5a]C[5a]P){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(H){1|H<1>}	112.7640	2.971	2	112.7640	8.828	2	110.3692	2.779	10	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:P-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PC[6a]2)	S[5a](C[5a]B[5a]C[5a])(C[5a]C[5a]P)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PC[6a]2){1|B<3>,1|H<1>}	S[5a](C[5a]B[5a]C[5a])(C[5a]C[5a]P){2|H<1>,2|N<3>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(H){1|B<3>}	109.8070	0.000	1	109.8070	0.000	1	110.3692	2.779	10	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:P-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PC[6a]2)	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]P)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PC[6a]2){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]P){1|Fe<10>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(H){1|C<4>}	110.0930	0.109	2	110.0930	0.012	2	110.3692	2.779	10	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:P-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PNN)	S[5a](C[5a]C[5a]P)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PNN){1|H<1>,1|P<3>}	S[5a](C[5a]C[5a]P)2{2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(H){1|P<3>}	109.5585	0.103	2	109.5585	0.011	2	110.3692	2.779	10	111.0432	1.554	1243	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CCC)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(OC)	C[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CCC){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(OC){1|H<1>,2|C<3>}	109.8750	0.000	1	109.8750	0.000	1	111.2480	0.824	9	110.7553	1.492	83	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CCO)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(OH)	C[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CCO){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(OH){1|H<1>,2|C<3>}	111.7427	0.306	3	111.7427	0.093	3	111.2480	0.824	9	110.7553	1.492	83	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CC[5]O)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(OH)	C[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CC[5]O){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(OH){1|H<1>,2|C<3>}	111.7130	0.000	1	111.7130	0.000	1	111.2480	0.824	9	110.7553	1.492	83	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CC[6a]S)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(OH)	C[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CC[6a]S){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(OH){1|H<1>,2|C<3>}	110.1820	0.123	2	110.1820	0.015	2	111.2480	0.824	9	110.7553	1.492	83	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(COO)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(OC)	C[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(COO){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(OC){1|H<1>,2|C<3>}	111.8390	0.000	1	111.8390	0.000	1	111.2480	0.824	9	110.7553	1.492	83	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(COO)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(OH)	C[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(COO){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(OH){1|C<3>,1|O<1>,1|O<2>}	112.2130	0.000	1	112.2130	0.000	1	111.2480	0.824	9	110.7553	1.492	83	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCH)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CN)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCH){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<2>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CN){1|H<1>}	109.8330	0.222	2	109.8330	0.049	2	110.2502	0.662	5	110.7553	1.492	83	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCH)	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]O)(C[5a]S[5a]C)(CN)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCH){1|C<3>,1|O<2>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<2>,1|O<2>,2|C<3>}	C[5a](C[5a]C[5a]O)(C[5a]S[5a]C)(CN){1|C<3>}	109.9875	0.514	2	109.9875	0.264	2	110.2502	0.662	5	110.7553	1.492	83	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CNO)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CN)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CNO){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<2>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CN){1|H<1>}	111.6100	0.000	1	111.6100	0.000	1	110.2502	0.662	5	110.7553	1.492	83	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N-2:	C[5a](C[5a]C[5a]N)(S[5a]C[5a])(CC[6a]O)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]S)(C[5a]S[5a]C)(NH)	C[5a](C[5a]C[5a]N)(S[5a]C[5a])(CC[6a]O){1|N<3>,1|S<4>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|N<2>,1|S<4>}	C[5a](C[5a]C[5a]S)(C[5a]S[5a]C)(NH){1|N<3>}	110.7330	0.000	1	110.7330	0.000	1	111.1390	0.330	2	110.7553	1.492	83	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N-2:	C[5a](C[5a]C[5a]N)(S[5a]C[5a])(COO)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(NS)	C[5a](C[5a]C[5a]N)(S[5a]C[5a])(COO){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(NS){1|C<3>}	111.5450	0.000	1	111.5450	0.000	1	111.1390	0.330	2	110.7553	1.492	83	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[5a]O)(S[5a]C[5a])(CCH)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(OC)	C[5a](C[5a]C[5a]O)(S[5a]C[5a])(CCH){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|H<1>,1|O<2>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(OC){1|H<1>}	109.5323	0.100	4	109.5323	0.010	4	110.8298	1.543	21	110.7553	1.492	83	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[5a]O)(S[5a]C[5a])(CCH)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(OC)	C[5a](C[5a]C[5a]O)(S[5a]C[5a])(CCH){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C)2{1|H<1>,1|O<2>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(OC){1|C<3>}	109.6390	0.000	1	109.6390	0.000	1	110.8298	1.543	21	110.7553	1.492	83	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[5a]O)(S[5a]C[5a])(CCH)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]O)(C[5a]S[5a]C)(OC)	C[5a](C[5a]C[5a]O)(S[5a]C[5a])(CCH){1|C<3>,1|O<2>}	S[5a](C[5a]C[5a]C)2{2|O<2>}	C[5a](C[5a]C[5a]O)(C[5a]S[5a]C)(OC){1|C<3>}	109.9115	0.407	2	109.9115	0.165	2	110.8298	1.543	21	110.7553	1.492	83	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[5a]O)(S[5a]C[5a])(CCO)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(OC)	C[5a](C[5a]C[5a]O)(S[5a]C[5a])(CCO){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|H<1>,1|O<2>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(OC){1|H<1>}	110.5060	0.000	1	110.5060	0.000	1	110.8298	1.543	21	110.7553	1.492	83	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[5a]O)(S[5a]C[5a])(CCS)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]O)(C[5a]S[5a]C)(OC)	C[5a](C[5a]C[5a]O)(S[5a]C[5a])(CCS){1|C<3>,1|O<2>}	S[5a](C[5a]C[5a]C)2{2|O<2>}	C[5a](C[5a]C[5a]O)(C[5a]S[5a]C)(OC){1|C<3>}	110.2602	0.306	4	110.2602	0.094	4	110.8298	1.543	21	110.7553	1.492	83	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[5a]O)(S[5a]C[5a])(CHN)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(OCu)	C[5a](C[5a]C[5a]O)(S[5a]C[5a])(CHN){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|H<1>,1|O<2>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(OCu){1|H<1>}	111.2665	0.588	2	111.2665	0.345	2	110.8298	1.543	21	110.7553	1.492	83	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[5a]O)(S[5a]C[5a])(CNO)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]O)(C[5a]S[5a]C)(OC)	C[5a](C[5a]C[5a]O)(S[5a]C[5a])(CNO){1|C<3>,1|O<2>}	S[5a](C[5a]C[5a]C)2{2|O<2>}	C[5a](C[5a]C[5a]O)(C[5a]S[5a]C)(OC){1|C<3>}	111.6470	0.000	1	111.6470	0.000	1	110.8298	1.543	21	110.7553	1.492	83	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[5a]O)(S[5a]C[5a])(COO)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(OH)	C[5a](C[5a]C[5a]O)(S[5a]C[5a])(COO){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C)2{1|H<1>,1|O<2>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(OH){1|C<3>}	111.2745	0.391	2	111.2745	0.153	2	110.8298	1.543	21	110.7553	1.492	83	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[5a]O)(S[5a]C[5a])(COO)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]O)(C[5a]S[5a]C)(OH)	C[5a](C[5a]C[5a]O)(S[5a]C[5a])(COO){1|C<3>,1|O<2>}	S[5a](C[5a]C[5a]C)2{2|O<2>}	C[5a](C[5a]C[5a]O)(C[5a]S[5a]C)(OH){1|C<3>}	112.8895	0.282	4	112.8895	0.080	4	110.8298	1.543	21	110.7553	1.492	83	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:Se-2:	C[5a](C[5a]C[5a]Se)(S[5a]C[5a])(CNO)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(SeC[6a])	C[5a](C[5a]C[5a]Se)(S[5a]C[5a])(CNO){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|Se<2>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(SeC[6a]){1|H<1>}	110.7420	0.000	1	110.7420	0.000	1	110.7420	0.000	1	110.7553	1.492	83	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(CCC)	S[5a](C[5a]C[5a]C)(C[5a]N[5a]N)	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(CCC){1|N<3>,2|C<3>}	S[5a](C[5a]C[5a]C)(C[5a]N[5a]N){1|C<3>}	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	109.4560	0.000	1	109.4560	0.000	1	109.7924	0.325	5	110.7553	1.492	83	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(CC[6a]O)	S[5a](C[5a]C[5a]C)(C[5a]N[5a]N)	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(CC[6a]O){1|N<3>,2|C<3>}	S[5a](C[5a]C[5a]C)(C[5a]N[5a]N){1|C<3>}	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	109.2300	0.000	1	109.2300	0.000	1	109.7924	0.325	5	110.7553	1.492	83	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(COO)	S[5a](C[5a]C[5a]C)(C[5a]N[5a]2)	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(COO){1|N<3>,2|C<3>}	S[5a](C[5a]C[5a]C)(C[5a]N[5a]2){3|C<3>}	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	109.5770	0.000	1	109.5770	0.000	1	109.7924	0.325	5	110.7553	1.492	83	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(COO)	S[5a](C[5a]C[5a]C)(C[5a]N[5a]N)	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(COO){1|N<3>,2|C<3>}	S[5a](C[5a]C[5a]C)(C[5a]N[5a]N){1|C<3>}	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	110.3495	0.450	2	110.3495	0.203	2	109.7924	0.325	5	110.7553	1.492	83	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a](C[5a]C[6a]S[5a])(S[5a]C[5a])(COO)	S[5a](C[5a]C[5a]C)(C[5a]S[5a]O)	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(S[5a]C[5a])	C[5a](C[5a]C[6a]S[5a])(S[5a]C[5a])(COO){1|O<1>,2|C<3>}	S[5a](C[5a]C[5a]C)(C[5a]S[5a]O){1|C<3>}	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(S[5a]C[5a]){1|O<1>,2|C<3>,2|H<1>}	117.8570	0.000	1	117.8570	0.000	1	117.8570	0.000	1	110.7553	1.492	83	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:C[5]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:N-2:	C[5a](C[5a]C[5a,6a]N)(S[5a]C[5a,6a])(C[5]C[5]S[5])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[5])(NC[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>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5]){1|H<1>,1|N<2>,1|S<2>,3|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>}	112.3265	0.115	2	112.3265	0.013	2	112.3265	0.013	2	110.7553	1.492	83	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:C[5]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[5a]O)(S[5a]C[5a])(C[5]C[5]2)	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(OC)	C[5a](C[5a]C[5a]O)(S[5a]C[5a])(C[5]C[5]2){3|C<3>,3|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(OC){1|H<1>,2|C<3>}	109.6030	0.240	2	109.6030	0.058	2	109.6030	0.058	2	110.7553	1.492	83	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:S-2:	C[5a](C[5a]N[5a,5a]S)(S[5a]C[5a,5a])(C[6a]C[6a]2)	S[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]C[6a])	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]S[5a])(SC)	C[5a](C[5a]N[5a,5a]S)(S[5a]C[5a,5a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	S[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]S[5a])(SC){5|C<3>}	112.3330	0.000	1	112.3330	0.000	1	112.3330	0.000	1	110.7553	1.492	83	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:N-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a,6]C)(S[5a]C[5a,6])(NC[6a]H)	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]N)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]N)(CN)	C[5a](C[5a]C[5a,6]C)(S[5a]C[5a,6])(NC[6a]H){2|C<4>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]N){1|C<2>,2|C<4>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]N)(CN){2|C<4>,2|H<1>}	110.6530	0.000	1	110.6530	0.000	1	110.4940	0.188	4	110.7553	1.492	83	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:N-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a,6]C)(S[5a]C[5a,6])(NHH)	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]N)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]N)(CN)	C[5a](C[5a]C[5a,6]C)(S[5a]C[5a,6])(NHH){1|C<3>,1|C<4>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]N){1|C<2>,1|O<1>,2|C<4>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]N)(CN){1|C<3>,1|C<4>,2|H<1>}	111.0310	0.000	1	110.4410	0.265	3	110.4940	0.188	4	110.7553	1.492	83	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:N-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a,6]C)(S[5a]C[5a,6])(NHH)	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]N)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]N)(CN)	C[5a](C[5a]C[5a,6]C)(S[5a]C[5a,6])(NHH){2|C<4>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]N){1|C<2>,2|C<4>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]N)(CN){2|C<4>,2|H<1>}	110.1460	0.088	2	110.4410	0.265	3	110.4940	0.188	4	110.7553	1.492	83	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:N-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(NC[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)(CN)	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(NC[6a]H){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N){1|C<2>,1|H<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)(CN){1|H<1>,2|C<3>}	111.2035	0.494	2	111.4653	0.328	3	111.4653	0.328	3	110.7553	1.492	83	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:N-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(NC[6a]H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)(CN)	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(NC[6a]H){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N){1|C<2>,1|H<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)(CN){1|O<2>,2|C<3>}	111.9890	0.000	1	111.4653	0.328	3	111.4653	0.328	3	110.7553	1.492	83	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NCC)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(CN)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NCC){1|C<3>,1|C<4>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<2>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(CN){1|C<3>}	110.4025	0.466	2	110.4025	0.217	2	110.4317	0.249	19	110.7553	1.492	83	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC[6a]H)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]2)(C[5a]S[5a]N)(CN)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC[6a]H){2|C<3>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<2>,1|C<3>}	C[5a](C[5a]C[5a]2)(C[5a]S[5a]N)(CN){1|C<3>,1|N<2>,1|S<2>}	110.3540	0.000	1	110.3540	0.000	1	110.4317	0.249	19	110.7553	1.492	83	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC[6a]H)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(CN)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC[6a]H){2|C<4>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<2>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(CN){1|C<4>}	109.5040	0.000	1	109.5040	0.000	1	110.4317	0.249	19	110.7553	1.492	83	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC[6a]H)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(CN)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC[6a]H){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<2>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(CN){1|C<4>}	110.2380	0.472	7	110.2380	0.223	7	110.4317	0.249	19	110.7553	1.492	83	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC[6a]H)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]N)(C[5a]S[5a]N)(CN)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC[6a]H){1|C<3>,1|N<3>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<2>,1|N<3>}	C[5a](C[5a]C[5a]N)(C[5a]S[5a]N)(CN){1|C<3>}	111.2600	0.000	1	111.2600	0.000	1	110.4317	0.249	19	110.7553	1.492	83	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NHH)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)(CN)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NHH){1|C<3>,1|C<4>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<2>,1|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)(CN){1|C<4>,2|C<3>}	110.3855	0.158	2	110.5787	0.060	4	110.4317	0.249	19	110.7553	1.492	83	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NHH)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)(CN)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NHH){2|C<3>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<2>,1|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)(CN){3|C<3>}	110.7720	0.083	2	110.5787	0.060	4	110.4317	0.249	19	110.7553	1.492	83	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NHH)	S[5a](C[5a]C[5a]H)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(CN)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NHH){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]H)(C[5a]C[5a]N){1|C<2>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(CN){1|H<1>}	110.2560	0.000	1	110.2560	0.000	1	110.4317	0.249	19	110.7553	1.492	83	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NHH)	S[5a](C[5a]C[5a]H)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)(CN)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NHH){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]H)(C[5a]C[5a]N){1|C<2>,1|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)(CN){1|H<1>,2|C<3>}	110.7820	0.000	1	110.7820	0.000	1	110.4317	0.249	19	110.7553	1.492	83	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NHH)	S[5a](C[5a]C[5a]N)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(CN)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NHH){1|C<2>,1|N<3>}	S[5a](C[5a]C[5a]N)2{2|C<2>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(CN){1|N<3>}	111.2600	0.000	1	111.2600	0.000	1	110.4317	0.249	19	110.7553	1.492	83	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(NC[6a]2)	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)	C[5a](C[5a]S[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(NC[6a]2){3|C<3>}	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N){3|C<3>}	C[5a](C[5a]S[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|O<2>,3|C<3>}	110.0960	0.000	1	110.2873	0.030	4	110.2873	0.030	4	110.7553	1.492	83	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(NC[6a]2)	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)	C[5a](C[5a]S[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(NC[6a]2){3|C<3>}	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N){3|C<3>}	C[5a](C[5a]S[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	110.3510	0.144	3	110.2873	0.030	4	110.2873	0.030	4	110.7553	1.492	83	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(S[5a]N[5a])(NCH)	S[5a](C[5a]C[5a]N)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]O)(C[5a]S[5a]N)(CN)	C[5a](C[5a]C[5a]C)(S[5a]N[5a])(NCH){1|H<1>,1|O<1>}	S[5a](C[5a]C[5a]N)(N[5a]C[5a]H){1|C<2>,1|O<1>}	C[5a](C[5a]N[5a]O)(C[5a]S[5a]N)(CN){1|H<1>}	110.1330	0.000	1	110.1330	0.000	1	110.1330	0.000	1	110.7553	1.492	83	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:N[6]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(N[6]C[6]2)	S[5a](C[5a]C[5a]N[6])(C[5a]C[5a]C)	C[5a](C[5a]S[5a]N[6])(C[5a]C[5a]N)(CN)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(N[6]C[6]2){1|C<2>,1|N<3>,2|C<4>,4|H<1>}	S[5a](C[5a]C[5a]N[6])(C[5a]C[5a]C){1|C<2>,1|N<3>,2|C<4>}	C[5a](C[5a]S[5a]N[6])(C[5a]C[5a]N)(CN){1|C<2>,2|C<4>}	110.3910	0.000	1	110.3910	0.000	1	110.3910	0.000	1	110.7553	1.492	83	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:N[6]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a]S)(S[5a]C[5a])(N[6]C[6]2)	S[5a](C[5a]C[5a]N[6])2	C[5a](C[5a]S[5a]N[6])(C[5a]C[5a]S)(SS)	C[5a](C[5a]C[5a]S)(S[5a]C[5a])(N[6]C[6]2){1|N<3>,1|S<2>,2|C<4>,4|H<1>}	S[5a](C[5a]C[5a]N[6])2{2|S<2>,4|C<4>}	C[5a](C[5a]S[5a]N[6])(C[5a]C[5a]S)(SS){1|N<3>,2|C<4>}	110.2520	0.086	2	110.2520	0.007	2	110.2520	0.007	2	110.7553	1.492	83	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:B[5]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(B[5]O[5]2)	S[5a](C[5a]C[5a]B[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]B[5])(C[5a]C[5a]2)2	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(B[5]O[5]2){1|H<1>,2|C<4>,3|C<3>}	S[5a](C[5a]C[5a]B[5])(C[5a]C[5a]H){2|C<3>,2|O<2>}	C[5a](C[5a]S[5a]B[5])(C[5a]C[5a]2)2{1|S<2>,2|H<1>,2|O<2>,4|C<3>}	110.1225	0.109	4	110.1225	0.012	4	110.1225	0.012	4	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-3:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,5a]C)(S[5a]C[5a,5a])(CCC)	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(CCH)	C[5a](C[5a]C[5a,5a]C)(S[5a]C[5a,5a])(CCC){1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(CCH){2|C<3>}	112.2490	0.000	1	112.2490	0.000	1	113.7869	1.098	7	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-3:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,5a]C)(S[5a]C[5a,5a])(CCrO)	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C)	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]C)(CCrO)	C[5a](C[5a]C[5a,5a]C)(S[5a]C[5a,5a])(CCrO){1|C<3>,1|N<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]C)(CCrO){1|C<4>,2|C<3>}	114.8157	0.236	3	114.8157	0.056	3	113.7869	1.098	7	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-3:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,5a]C)(S[5a]C[5a,5a])(CCrO)	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(CCrO)	C[5a](C[5a]C[5a,5a]C)(S[5a]C[5a,5a])(CCrO){1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C){1|Br<1>,1|S<2>,2|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(CCrO){2|C<3>}	112.9760	0.000	1	113.2707	0.068	3	113.7869	1.098	7	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-3:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,5a]C)(S[5a]C[5a,5a])(CCrO)	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(CCrO)	C[5a](C[5a]C[5a,5a]C)(S[5a]C[5a,5a])(CCrO){1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(CCrO){2|C<3>}	113.3640	0.000	1	113.2707	0.068	3	113.7869	1.098	7	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-3:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,5a]C)(S[5a]C[5a,5a])(CCrO)	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(CCrO)	C[5a](C[5a]C[5a,5a]C)(S[5a]C[5a,5a])(CCrO){1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C){1|S<2>,3|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(CCrO){2|C<3>}	113.4720	0.000	1	113.2707	0.068	3	113.7869	1.098	7	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-3:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(CC[5a]O)	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]S[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(CC[5a]O){1|N<3>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]S[5a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	113.5370	0.000	1	113.5370	0.000	1	113.0360	0.229	3	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-3:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(CC[6a]O)	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]S[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(CC[6a]O){1|N<3>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]S[5a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	112.7855	0.286	2	112.7855	0.082	2	113.0360	0.229	3	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-3:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a,5a]N)(S[5a]C[5a,5a])(COO)	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]C)	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]S[5a]C)(NHH)	C[5a](C[5a]C[5a,5a]N)(S[5a]C[5a,5a])(COO){1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]C){1|N<3>,2|C<3>}	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]S[5a]C)(NHH){1|C<3>,1|N<2>,1|S<2>}	111.7500	0.000	1	111.7500	0.000	1	111.7500	0.000	1	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-3:	C[5a,5a]-3:C[5a]-3:	C[5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a](C[5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(CC[5a]O)	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2)(C[5a]S[5a]C)	C[5a](C[5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(CC[5a]O){1|S<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]C){3|C<3>}	C[5a](C[5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2)(C[5a]S[5a]C){2|S<2>,5|C<3>}	112.8240	0.434	8	112.8240	0.188	8	112.8240	0.188	8	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(CCO)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CNO)	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(CCO){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CNO){1|H<1>,2|C<3>}	113.0640	0.000	1	113.0640	0.000	1	112.8755	0.562	8	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(CC[6a]O)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CNO)	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(CC[6a]O){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CNO){1|H<1>,2|C<3>}	112.6406	0.824	5	112.6406	0.679	5	112.8755	0.562	8	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(CCrO)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CCrO)	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(CCrO){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CCrO){1|H<1>,2|C<3>}	113.8270	0.000	1	113.8270	0.000	1	112.8755	0.562	8	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(COO)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(COO)	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(COO){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(COO){1|H<1>,2|C<3>}	112.9100	0.000	1	112.9100	0.000	1	112.8755	0.562	8	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5a])(S[5a]C[5a,6a])(CC[6a]O)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]S[5a]C)	C[5a](C[5a]C[5a,6a]C[5a])(S[5a]C[5a,6a])(CC[6a]O){4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]S[5a]C){1|H<1>,1|N<3>,5|C<3>}	113.2340	0.000	1	113.2340	0.000	1	113.2340	0.000	1	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a,6a]N)(S[5a]C[5a,6a])(CNO)	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(NHH)	C[5a](C[5a]C[5a,6a]N)(S[5a]C[5a,6a])(CNO){1|C<3>,1|N<2>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C){1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(NHH){1|C<3>,1|H<1>,1|N<2>}	112.7870	0.000	1	112.9660	0.341	5	113.0353	0.470	11	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a,6a]N)(S[5a]C[5a,6a])(CNO)	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(NHH)	C[5a](C[5a]C[5a,6a]N)(S[5a]C[5a,6a])(CNO){1|C<3>,1|N<2>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C){1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(NHH){1|C<3>,1|N<2>,1|N<3>}	112.0250	0.000	1	112.9660	0.341	5	113.0353	0.470	11	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a,6a]N)(S[5a]C[5a,6a])(CNO)	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(NHH)	C[5a](C[5a]C[5a,6a]N)(S[5a]C[5a,6a])(CNO){1|C<3>,1|N<2>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C){1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(NHH){1|N<2>,2|C<3>}	113.3393	0.115	3	112.9660	0.341	5	113.0353	0.470	11	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a,6a]N)(S[5a]C[5a,6a])(CNO)	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(NSS)	C[5a](C[5a]C[5a,6a]N)(S[5a]C[5a,6a])(CNO){1|C<3>,1|N<2>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C){1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(NSS){1|C<3>,1|H<1>,1|N<2>}	111.8110	0.000	1	111.8110	0.000	1	113.0353	0.470	11	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a,6a]N)(S[5a]C[5a,6a])(COO)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(NHH)	C[5a](C[5a]C[5a,6a]N)(S[5a]C[5a,6a])(COO){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(NHH){1|C<3>,1|N<3>,1|O<1>}	112.5980	0.000	1	112.5980	0.000	1	113.0353	0.470	11	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a,6a]N)(S[5a]C[5a,6a])(COO)	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(NHH)	C[5a](C[5a]C[5a,6a]N)(S[5a]C[5a,6a])(COO){1|C<3>,1|N<2>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C){1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(NHH){1|C<3>,1|H<1>,1|N<2>}	113.7740	0.000	1	113.7633	0.000	3	113.0353	0.470	11	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a,6a]N)(S[5a]C[5a,6a])(COO)	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(NHH)	C[5a](C[5a]C[5a,6a]N)(S[5a]C[5a,6a])(COO){1|C<3>,1|N<2>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C){1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(NHH){1|N<2>,2|C<3>}	113.7580	0.027	2	113.7633	0.000	3	113.0353	0.470	11	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a,6a]N)(S[5a]C[5a,6a])(COO)	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(NHS)	C[5a](C[5a]C[5a,6a]N)(S[5a]C[5a,6a])(COO){1|C<3>,1|N<2>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C){1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(NHS){1|C<3>,1|H<1>,1|N<2>}	112.8590	0.000	1	112.8590	0.000	1	113.0353	0.470	11	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(CHO)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5a]S[5a]C)	C[5a](C[5a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(CHO){4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5a]S[5a]C){1|C<2>,1|H<1>,5|C<3>}	113.5740	0.000	1	113.5740	0.000	1	113.5740	0.000	1	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:B-3:	C[5a](C[5a]C[5a]B)(S[5a]C[5a])(CCH)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(BC[6a]2)	C[5a](C[5a]C[5a]B)(S[5a]C[5a])(CCH){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|B<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(BC[6a]2){1|H<1>}	112.3830	0.000	1	112.3830	0.000	1	112.3830	0.000	1	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCH)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CHO)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCH){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CHO){1|H<1>}	110.0910	0.366	2	110.0910	0.134	2	111.1948	0.556	9	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCO)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CC[6a]C[6])	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCO){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CC[6a]C[6]){1|H<1>}	111.1390	0.771	2	111.1390	0.594	2	111.1948	0.556	9	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CHN)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CHN)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CHN){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CHN){1|H<1>}	111.5240	0.000	1	111.5240	0.000	1	111.1948	0.556	9	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(COO)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(COO)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(COO){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(COO){1|H<1>}	112.0070	0.000	1	112.0070	0.000	1	111.1948	0.556	9	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(COO)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(COO)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(COO){1|C<3>,1|N<3>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){2|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(COO){1|N<3>}	111.5080	0.000	1	111.5080	0.000	1	111.1948	0.556	9	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(COO)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(COO)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(COO){1|C<3>,1|N<3>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){2|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(COO){1|C<3>,1|N<2>,1|N<3>}	111.4880	0.000	1	111.4880	0.000	1	111.1948	0.556	9	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(COO)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(COO)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(COO){1|C<2>,1|C<3>}	S[5a](C[5a]C[5a]C)2{2|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(COO){1|C<2>,2|C<3>}	111.7660	0.000	1	111.7660	0.000	1	111.1948	0.556	9	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CCH)	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	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){1|C<4>,1|H<1>,2|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	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>}	109.9820	0.000	1	109.9820	0.000	1	109.9820	0.000	1	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(CC[6a]O)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]C)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(CC[6a]O){1|C<2>,1|N<2>,1|N<3>,1|S<2>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<2>,1|C<3>}	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]C)(C[5a]S[5a]C){1|N<3>,2|C<3>}	111.4380	0.000	1	111.4380	0.000	1	111.4380	0.000	1	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CCO)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CCO){1|N<3>,3|C<3>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){2|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>}	112.1380	0.000	1	112.1380	0.000	1	112.0102	0.441	15	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CC[5a]O)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CC[5a]O){2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6a]C[6a]2){2|H<1>,3|C<3>}	113.0170	0.091	2	113.0170	0.008	2	112.0102	0.441	15	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CC[6a]H)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CC[6a]H){1|N<2>,3|C<3>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){2|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(C[6a]C[6a]2){1|N<2>,2|C<3>,2|H<1>}	110.5440	0.000	1	110.5440	0.000	1	112.0102	0.441	15	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CC[6a]O)	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CC[6a]O){1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6a]C[6a]2){2|H<1>,3|C<3>}	111.4220	0.000	1	111.4220	0.000	1	112.0102	0.441	15	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CNO)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CNO){2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6a]C[6a]2){1|C<4>,2|C<3>,2|H<1>}	112.2000	0.000	1	112.2000	0.000	1	112.0102	0.441	15	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CNO)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CNO){1|C<2>,1|N<3>,2|C<3>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<2>,1|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>}	111.9600	0.025	2	111.9600	0.001	2	112.0102	0.441	15	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CNO)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CNO){4|C<3>}	S[5a](C[5a]C[5a]C)2{2|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	112.1075	0.435	6	112.1075	0.189	6	112.0102	0.441	15	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(COO)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(COO){2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6a]C[6a]2){1|H<1>,2|C<3>,2|F<1>}	111.2500	0.000	1	111.2500	0.000	1	112.0102	0.441	15	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(S[5a]C[5a])(CCO)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]S)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(NHH)	C[5a](C[5a]C[5a]N)(S[5a]C[5a])(CCO){1|C<2>,1|S<2>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]S){1|C<2>,1|N<3>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(NHH){1|S<2>}	111.6670	0.000	1	111.6670	0.000	1	111.3170	1.008	12	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(S[5a]C[5a])(CC[6a]O)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]S)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(NHH)	C[5a](C[5a]C[5a]N)(S[5a]C[5a])(CC[6a]O){1|C<2>,1|S<2>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]S){1|C<2>,1|N<3>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(NHH){1|S<2>}	110.3630	0.000	1	110.3630	0.000	1	111.3170	1.008	12	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(S[5a]C[5a])(CNO)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(NCH)	C[5a](C[5a]C[5a]N)(S[5a]C[5a])(CNO){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(NCH){1|H<1>}	110.4730	0.000	1	110.4730	0.000	1	111.3170	1.008	12	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(S[5a]C[5a])(CN[5]O)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(NCH)	C[5a](C[5a]C[5a]N)(S[5a]C[5a])(CN[5]O){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(NCH){1|H<1>}	109.2030	0.000	1	109.2030	0.000	1	111.3170	1.008	12	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(S[5a]C[5a])(COO)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(NHS)	C[5a](C[5a]C[5a]N)(S[5a]C[5a])(COO){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(NHS){1|C<3>}	111.1030	0.000	1	111.1030	0.000	1	111.3170	1.008	12	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(S[5a]C[5a])(COO)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(NCH)	C[5a](C[5a]C[5a]N)(S[5a]C[5a])(COO){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(NCH){1|H<1>}	111.3910	0.052	2	111.3910	0.003	2	111.3170	1.008	12	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(S[5a]C[5a])(COO)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(NHS)	C[5a](C[5a]C[5a]N)(S[5a]C[5a])(COO){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(NHS){1|H<1>}	110.9510	0.000	1	110.9510	0.000	1	111.3170	1.008	12	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(S[5a]C[5a])(COO)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(NHH)	C[5a](C[5a]C[5a]N)(S[5a]C[5a])(COO){1|C<2>,1|N<3>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<2>,1|N<3>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(NHH){1|N<3>}	112.4070	0.000	1	112.4070	0.000	1	111.3170	1.008	12	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(S[5a]C[5a])(COO)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(NC[5]H)	C[5a](C[5a]C[5a]N)(S[5a]C[5a])(COO){1|H<1>,1|N<3>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(NC[5]H){1|N<3>}	112.6125	0.206	2	112.6125	0.042	2	111.3170	1.008	12	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(S[5a]C[5a])(COO)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(NHH)	C[5a](C[5a]C[5a]N)(S[5a]C[5a])(COO){1|C<3>,1|C<4>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|N<3>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(NHH){1|C<4>}	111.6300	0.000	1	111.6300	0.000	1	111.3170	1.008	12	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[6]-3:	C[5a](C[5a]C[5a]N[6])(S[5a]C[5a])(COO)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(N[6]C[6]2)	C[5a](C[5a]C[5a]N[6])(S[5a]C[5a])(COO){1|C<3>,3|C<4>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|N<3>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(N[6]C[6]2){3|C<4>,4|H<1>}	111.9810	0.000	1	111.9810	0.000	1	111.9810	0.000	1	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CNO)	S[5a](C[5a]C[5a]C)2	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CNO){2|C<3>,2|C<4>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|C<4>}	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)(C[5a]S[5a]C){2|C<4>,3|C<3>}	111.6860	0.000	1	111.6860	0.000	1	111.6860	0.000	1	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C[5a]-3:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5,5a]C[5a])(S[5a]C[5,5a])(C[5a]C[5a]2)	S[5a](C[5,5a]C[5,5a]C[5,6])(C[5a]C[5a]2)	C[5a](C[5,5a]C[5,5a]B[5])(C[5a]C[5a]S[5a])(C[5a]C[5a]2)	C[5a](C[5a]C[5,5a]C[5a])(S[5a]C[5,5a])(C[5a]C[5a]2){1|B<4>,1|C<4>,1|H<1>,1|S<2>,4|C<3>}	S[5a](C[5,5a]C[5,5a]C[5,6])(C[5a]C[5a]2){1|B<4>,1|N<3>,4|C<3>}	C[5a](C[5,5a]C[5,5a]B[5])(C[5a]C[5a]S[5a])(C[5a]C[5a]2){2|Br<1>,1|C<4>,1|H<1>,1|N<3>,1|S<2>,4|C<3>}	112.0430	0.000	1	112.0430	0.000	1	112.0430	0.000	1	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C[5a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[5a]C[5a]2)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]S[5a])	C[5a](C[5a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[5a]C[5a]2){1|S<2>,2|C<4>,5|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2){1|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]S[5a]){1|H<1>,1|O<2>,7|C<3>}	111.9160	0.447	2	111.9160	0.200	2	111.9160	0.200	2	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(C[6]C[6]2)	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(C[6]C[6]2){3|H<1>,5|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6]){1|H<1>,5|C<3>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	111.7870	0.434	2	111.7870	0.188	2	111.7870	0.188	2	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]2)	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]C[6a])	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]C[6a]S[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]2){1|S<4>,2|H<1>,5|C<3>}	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]C[6a]){1|S<4>,5|C<3>}	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]C[6a]S[5a])(C[6a]C[6a]2){2|H<1>,2|O<1>,6|C<3>}	111.6200	0.253	2	111.6200	0.064	2	111.9480	0.174	4	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]2)	S[5a](C[5,5a]C[5,5a]S[5])(C[5a]C[5a]C[6a])	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]C[6a]S[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]2){2|H<1>,2|S<2>,4|C<3>}	S[5a](C[5,5a]C[5,5a]S[5])(C[5a]C[5a]C[6a]){1|S<2>,4|C<3>}	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]C[6a]S[5a])(C[6a]C[6a]2){1|S<2>,2|H<1>,5|C<3>}	112.2760	0.167	2	112.2760	0.028	2	111.9480	0.174	4	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5,5a]-3:C[5a]-3:	N[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]N[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]2)	S[5a](C[5,5a]N[5,5a]N[5,6])(C[5a]C[5a]C[6a])	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[6a]S[5a])(C[6a]C[6a]2)	C[5a](C[5a]N[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	S[5a](C[5,5a]N[5,5a]N[5,6])(C[5a]C[5a]C[6a]){1|C<4>,5|C<3>}	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[6a]S[5a])(C[6a]C[6a]2){2|H<1>,2|N<3>,5|C<3>}	112.6630	0.000	1	112.6630	0.000	1	112.6630	0.000	1	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]2)	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a])	C[5a](C[5a,5a]C[5a,5a]N[5a,6])(C[5a]C[6a]S[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a]){1|N<3>,5|C<3>}	C[5a](C[5a,5a]C[5a,5a]N[5a,6])(C[5a]C[6a]S[5a])(C[6a]C[6a]2){1|B<4>,2|H<1>,6|C<3>}	113.9065	0.274	2	113.9065	0.075	2	112.9985	0.430	10	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]2)	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a])	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a]){1|N<3>,5|C<3>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	113.0755	0.356	2	113.0755	0.127	2	112.9985	0.430	10	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]2)	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a])	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]2){1|S<2>,2|H<1>,5|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	112.8602	0.546	4	112.6702	0.272	6	112.9985	0.430	10	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]2)	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a])	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]2){1|S<2>,2|H<1>,5|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a]){1|S<2>,5|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	112.2900	0.177	2	112.6702	0.272	6	112.9985	0.430	10	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]2)	S[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]C[6a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2)	C[5a](C[5a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]2){2|H<1>,2|N<2>,4|C<3>}	S[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]C[6a]){1|N<2>,4|C<3>}	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	112.1670	0.000	1	112.1670	0.000	1	112.1670	0.000	1	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(C[6a]C[6a]2)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(CCH)	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(CCH){1|H<1>,4|C<3>}	112.6360	0.000	1	112.6360	0.000	1	112.2480	0.301	2	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(C[6a]C[6a]2)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(CC[6a]O)	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(CC[6a]O){1|H<1>,4|C<3>}	111.8600	0.000	1	111.8600	0.000	1	112.2480	0.301	2	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2){1|N<3>,2|H<1>,6|C<3>}	112.6510	0.000	1	112.4050	0.076	5	112.4050	0.076	5	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	112.2287	0.187	3	112.4050	0.076	5	112.4050	0.076	5	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2){2|F<1>,7|C<3>}	112.6880	0.000	1	112.4050	0.076	5	112.4050	0.076	5	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a,6a]N)(S[5a]C[5a,6a])(C[6a]C[6a]2)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(NOO)	C[5a](C[5a]C[5a,6a]N)(S[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(NOO){1|H<1>,4|C<3>}	110.6170	0.000	1	110.6170	0.000	1	110.6170	0.000	1	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:N-3:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5,5a]C)(S[5a]C[5,5a])(NCH)	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]N)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]N)(COO)	C[5a](C[5a]C[5,5a]C)(S[5a]C[5,5a])(NCH){2|C<4>}	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]N){1|C<3>,2|C<4>,2|H<1>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]N)(COO){2|C<4>,2|H<1>}	112.4480	0.000	1	112.4480	0.000	1	112.4067	0.006	3	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:N-3:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5,5a]C)(S[5a]C[5,5a])(NHH)	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]N)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]N)(CNO)	C[5a](C[5a]C[5,5a]C)(S[5a]C[5,5a])(NHH){2|C<4>}	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]N){1|C<3>,2|C<4>,2|H<1>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]N)(CNO){2|C<4>,2|H<1>}	112.3860	0.098	2	112.3860	0.010	2	112.4067	0.006	3	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:N-3:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(NCN)	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]N)	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]S[5a]N)(C[6a]C[6a]2)	C[5a](C[5a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(NCN){1|N<3>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]N){1|C<4>,3|C<3>}	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]S[5a]N)(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	114.0950	0.000	1	114.0950	0.000	1	114.0950	0.000	1	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:N-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6]C)(S[5a]C[5a,6])(NCH)	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]N)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]N)(CC[6a]O)	C[5a](C[5a]C[5a,6]C)(S[5a]C[5a,6])(NCH){2|C<4>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]N){1|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]N)(CC[6a]O){2|C<4>,2|H<1>}	112.5480	0.245	3	112.5480	0.060	3	112.1594	0.423	16	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:N-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6]C)(S[5a]C[5a,6])(NCH)	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]N)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]N)(CNO)	C[5a](C[5a]C[5a,6]C)(S[5a]C[5a,6])(NCH){2|C<4>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]N){1|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]N)(CNO){2|C<4>,2|H<1>}	112.8880	0.000	1	112.8880	0.000	1	112.1594	0.423	16	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:N-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6]C)(S[5a]C[5a,6])(NCH)	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]N)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]N)(COO)	C[5a](C[5a]C[5a,6]C)(S[5a]C[5a,6])(NCH){2|C<4>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]N){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]N)(COO){2|C<4>,2|H<1>}	112.1970	0.113	2	112.3008	0.026	5	112.1594	0.423	16	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:N-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6]C)(S[5a]C[5a,6])(NCH)	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]N)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]N)(COO)	C[5a](C[5a]C[5a,6]C)(S[5a]C[5a,6])(NCH){2|C<4>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]N){1|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]N)(COO){2|C<4>,2|H<1>}	112.3700	0.165	3	112.3008	0.026	5	112.1594	0.423	16	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:N-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6]C)(S[5a]C[5a,6])(NHH)	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]N)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]N)(CC[6a]O)	C[5a](C[5a]C[5a,6]C)(S[5a]C[5a,6])(NHH){2|C<4>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]N){1|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]N)(CC[6a]O){2|C<4>,2|H<1>}	111.5310	0.000	1	111.5310	0.000	1	112.1594	0.423	16	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:N-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6]C)(S[5a]C[5a,6])(NHH)	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]N)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]N)(CNO)	C[5a](C[5a]C[5a,6]C)(S[5a]C[5a,6])(NHH){2|C<4>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]N){1|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]N)(CNO){2|C<4>,2|H<1>}	111.5113	0.304	3	111.5113	0.093	3	112.1594	0.423	16	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:N-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6]C)(S[5a]C[5a,6])(NHH)	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]N)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]N)(COO)	C[5a](C[5a]C[5a,6]C)(S[5a]C[5a,6])(NHH){2|C<4>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]N){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]N)(COO){2|C<4>,2|H<1>}	111.4205	0.036	2	112.1497	1.596	3	112.1594	0.423	16	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:N-3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6]C)(S[5a]C[5a,6])(NHH)	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]N)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]N)(COO)	C[5a](C[5a]C[5a,6]C)(S[5a]C[5a,6])(NHH){2|C<4>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]N){1|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]N)(COO){2|C<4>,2|H<1>}	113.6080	0.000	1	112.1497	1.596	3	112.1594	0.423	16	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:N-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(NCH)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)(CC[6a]O)	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(NCH){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)(CC[6a]O){1|H<1>,2|C<3>}	112.5900	0.000	1	112.5900	0.000	1	112.5900	0.000	1	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:N-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(NHH)	S[5a](C[5a,6a]C[5a,6a]S[6a])(C[5a]C[5a]N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(NHH){1|S<2>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]S[6a])(C[5a]C[5a]N){3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)(C[6a]C[6a]2){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	112.1380	0.062	2	112.1380	0.004	2	112.1380	0.004	2	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NCC)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(CC[6a]O)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NCC){2|C<2>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<2>,1|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(CC[6a]O){1|C<2>}	111.4880	0.000	1	111.3835	0.022	2	111.6400	0.210	98	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NCC)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(CC[6a]O)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NCC){2|C<3>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){2|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(CC[6a]O){1|C<3>}	111.2790	0.000	1	111.3835	0.022	2	111.6400	0.210	98	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NCH)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(CCO)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NCH){1|C<3>,1|C<4>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(CCO){1|C<3>}	111.5910	0.000	1	111.5910	0.000	1	111.6400	0.210	98	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NCH)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(CC[6a]N)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NCH){2|C<4>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(CC[6a]N){1|C<4>}	112.2590	0.000	1	112.2590	0.000	1	111.6400	0.210	98	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NCH)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(CNO)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NCH){2|C<4>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(CNO){1|C<4>}	112.3070	0.000	1	112.3070	0.000	1	111.6400	0.210	98	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NCH)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(COO)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NCH){1|C<3>,1|C<4>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(COO){1|C<3>}	113.6140	0.000	1	113.6140	0.000	1	111.6400	0.210	98	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NCH)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(CC[6a]N)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NCH){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(CC[6a]N){1|C<4>}	112.1120	0.000	1	112.1120	0.000	1	111.6400	0.210	98	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NCH)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(CC[6a]O)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NCH){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(CC[6a]O){1|C<4>}	111.9630	0.209	4	111.9630	0.044	4	111.6400	0.210	98	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NCH)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(COO)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NCH){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(COO){1|C<4>}	111.6788	0.414	5	111.6788	0.172	5	111.6400	0.210	98	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NCH)	S[5a](C[5a]C[5a]H)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(CN[5]O)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NCH){2|H<1>}	S[5a](C[5a]C[5a]H)(C[5a]C[5a]N){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(CN[5]O){1|H<1>}	112.0990	0.000	1	112.0990	0.000	1	111.6400	0.210	98	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NCH)	S[5a](C[5a]C[5a]H)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(COO)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NCH){2|H<1>}	S[5a](C[5a]C[5a]H)(C[5a]C[5a]N){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(COO){1|H<1>}	111.8673	0.080	3	111.8673	0.006	3	111.6400	0.210	98	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NCH)	S[5a](C[5a]C[5a]N)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(COO)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NCH){1|C<3>,1|N<3>}	S[5a](C[5a]C[5a]N)2{2|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(COO){1|N<3>}	113.3330	0.000	1	113.3330	0.000	1	111.6400	0.210	98	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC[6a]H)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(CCO)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC[6a]H){1|C<3>,1|C<4>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(CCO){1|C<3>}	112.4255	0.057	2	112.4255	0.003	2	111.6400	0.210	98	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC[6a]H)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)(COO)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC[6a]H){2|C<3>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){2|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)(COO){3|C<3>}	112.2970	0.000	1	112.2970	0.000	1	111.6400	0.210	98	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC[6a]H)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(CN[6]N)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC[6a]H){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(CN[6]N){1|C<4>}	111.5171	0.220	55	111.5171	0.049	55	111.6400	0.210	98	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NHH)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(COO)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NHH){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]N){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(COO){1|C<3>}	110.9520	0.000	1	110.9520	0.000	1	111.6400	0.210	98	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NHH)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(CNO)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NHH){2|C<4>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(CNO){1|C<4>}	111.4460	0.000	1	111.4460	0.000	1	111.6400	0.210	98	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NHH)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(COO)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NHH){1|C<3>,1|C<4>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(COO){1|C<3>}	111.9210	0.000	1	111.6105	0.193	2	111.6400	0.210	98	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NHH)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(COO)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NHH){2|C<4>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(COO){1|C<4>}	111.3000	0.000	1	111.6105	0.193	2	111.6400	0.210	98	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NHH)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(CC[6a]O)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NHH){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(CC[6a]O){1|C<4>}	111.0210	0.153	2	111.0210	0.023	2	111.6400	0.210	98	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NHH)	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(COO)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NHH){2|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N){4|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(COO){1|C<3>}	111.5627	0.439	3	111.5627	0.193	3	111.6400	0.210	98	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NHH)	S[5a](C[5a]C[5a]H)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(COO)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NHH){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]H)(C[5a]C[5a]N){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(COO){1|H<1>}	111.2777	0.271	3	111.2777	0.073	3	111.6400	0.210	98	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NHH)	S[5a](C[5a]C[5a]H)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(COO)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NHH){2|H<1>}	S[5a](C[5a]C[5a]H)(C[5a]C[5a]N){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(COO){1|H<1>}	110.7495	0.110	2	110.7495	0.012	2	111.6400	0.210	98	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NHH)	S[5a](C[5a]C[5a]N)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(COO)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NHH){1|C<3>,1|N<2>}	S[5a](C[5a]C[5a]N)2{2|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(COO){1|N<2>}	112.1885	0.347	2	112.1048	0.146	5	111.6400	0.210	98	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NHH)	S[5a](C[5a]C[5a]N)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(COO)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NHH){1|C<3>,1|N<3>}	S[5a](C[5a]C[5a]N)2{2|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(COO){1|N<3>}	112.0490	0.470	3	112.1048	0.146	5	111.6400	0.210	98	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(NC[6]H)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]N[5a]O[5a])(C[5a]C[5a]N)(C[5a]S[5a]N)	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(NC[6]H){1|C<2>,1|N<2>,1|N<3>,1|O<2>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<3>,1|N<3>}	C[5a](C[5a]N[5a]O[5a])(C[5a]C[5a]N)(C[5a]S[5a]N){1|C<2>,2|C<3>}	112.3300	0.000	1	112.3300	0.000	1	111.8665	0.430	2	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(NHH)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(C[5a]S[5a]N)	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(NHH){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(C[5a]S[5a]N){2|C<3>,2|C<4>}	111.4030	0.000	1	111.4030	0.000	1	111.8665	0.430	2	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(S[5a]C[5a])(NC[6a]2)	S[5a](C[5a]C[5a]N)2	C[5a](C[5a]C[5a]N)(C[5a]S[5a]N)(NOO)	C[5a](C[5a]C[5a]N)(S[5a]C[5a])(NC[6a]2){2|N<3>}	S[5a](C[5a]C[5a]N)2{2|N<3>}	C[5a](C[5a]C[5a]N)(C[5a]S[5a]N)(NOO){1|N<3>}	110.0420	0.150	2	110.0420	0.022	2	110.0420	0.022	2	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(NC[6a]C)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(C[5a]S[5a]N)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(NC[6a]C){1|N<2>,3|C<3>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){2|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(C[5a]S[5a]N){1|H<1>,3|C<3>}	113.0700	0.000	1	113.0700	0.000	1	113.0700	0.000	1	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:N[6]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(N[6]C[6]2)	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[6])	C[5a](C[5a]S[5a]N[6])(C[5a]C[5a]H)(CC[6a]O)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(N[6]C[6]2){1|C<3>,2|C<4>,5|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[6]){1|H<1>,2|C<4>,3|C<3>}	C[5a](C[5a]S[5a]N[6])(C[5a]C[5a]H)(CC[6a]O){1|C<3>,2|C<4>}	110.6620	0.000	1	110.6620	0.000	1	110.8045	0.041	2	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:N[6]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(N[6]C[6]2)	S[5a](C[5a]C[5a]N[6])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N[6])(CC[6a]O)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(N[6]C[6]2){1|C<3>,2|C<4>,5|H<1>}	S[5a](C[5a]C[5a]N[6])(C[5a]C[5a]H){2|C<3>,2|C<4>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N[6])(CC[6a]O){1|H<1>,2|C<3>,2|C<4>}	110.9470	0.000	1	110.9470	0.000	1	110.8045	0.041	2	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:S-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(SC[5a]O)	S[5a](C[5a]C[5a]H)(C[5a]C[5a]S)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]S)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(SC[5a]O){2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]H)(C[5a]C[5a]S){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]S)(C[6a]C[6a]2){2|H<1>,3|C<3>}	112.7650	0.286	2	112.7650	0.082	2	112.7650	0.082	2	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:Se-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[6])(S[5a]C[5a])(SeC[6a]O)	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]Se)	C[5a](C[5a]S[5a]Se)(C[6]C[5a,6]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6])(S[5a]C[5a])(SeC[6a]O){1|Br<1>,1|H<1>,2|C<3>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]Se){1|C<3>,1|H<1>}	C[5a](C[5a]S[5a]Se)(C[6]C[5a,6]2)(C[5a]C[5a]H){1|Br<1>,2|C<3>,2|N<3>}	112.5110	0.000	1	112.5110	0.000	1	112.5110	0.000	1	111.9878	0.818	245	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-3:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,5a]C)(S[5a]C[5a,5a])(COO)	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]C)	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)(CC[6a]HH)	C[5a](C[5a]C[5a,5a]C)(S[5a]C[5a,5a])(COO){1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]C){1|C<4>,2|C<3>}	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)(CC[6a]HH){1|C<3>,1|C<4>,1|S<2>}	113.8390	0.461	2	113.8390	0.213	2	113.9415	0.070	8	112.0494	2.573	92	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-3:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,5a]C)(S[5a]C[5a,5a])(COO)	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]C)	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)(CH3)	C[5a](C[5a]C[5a,5a]C)(S[5a]C[5a,5a])(COO){1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]C){1|C<4>,2|C<3>}	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)(CH3){1|C<3>,1|C<4>,1|S<2>}	113.9757	0.223	6	113.9757	0.050	6	113.9415	0.070	8	112.0494	2.573	92	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(CC[5a]O)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CCHH)	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(CC[5a]O){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CCHH){1|H<1>,2|C<3>}	111.9990	0.000	1	111.9990	0.000	1	112.5090	0.520	2	112.0494	2.573	92	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(COO)	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CH3)	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(COO){1|C<3>,1|N<2>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C){1|C<4>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CH3){1|N<2>,1|N<3>,1|O<1>}	113.0190	0.000	1	113.0190	0.000	1	112.5090	0.520	2	112.0494	2.573	92	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a,6a]P)(S[5a]C[5a,6a])(CC[5a]Ir)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(PIrCC)	C[5a](C[5a]C[5a,6a]P)(S[5a]C[5a,6a])(CC[5a]Ir){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|P<4>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(PIrCC){1|H<1>,2|C<3>}	111.7705	0.403	4	111.7705	0.162	4	111.7705	0.162	4	112.0494	2.573	92	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCC)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCC){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CCHH){1|C<3>}	111.6935	0.206	2	111.5343	0.097	3	111.5459	0.829	59	112.0494	2.573	92	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCC)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCC){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CCHH){1|C<3>}	111.2160	0.000	1	111.5343	0.097	3	111.5459	0.829	59	112.0494	2.573	92	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCC)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCC){1|C<3>,1|C<4>}	S[5a](C[5a]C[5a]C)2{2|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH){1|C<3>}	111.2270	0.000	1	111.2270	0.000	1	111.5459	0.829	59	112.0494	2.573	92	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCC)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCC){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C)2{1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CCHH){1|C<3>}	110.7680	0.000	1	110.7680	0.000	1	111.5459	0.829	59	112.0494	2.573	92	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCC)	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCC){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CCHH){1|C<3>}	111.6450	0.000	1	111.6450	0.000	1	111.5459	0.829	59	112.0494	2.573	92	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCH)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCH){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH){1|H<1>}	111.6200	0.000	1	111.6200	0.000	1	111.5459	0.829	59	112.0494	2.573	92	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCH)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CC[6a]HH)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCH){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CC[6a]HH){1|H<1>}	110.5890	0.000	1	110.5890	0.000	1	111.5459	0.829	59	112.0494	2.573	92	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCH)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCH){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CH3){1|H<1>}	111.0680	0.315	9	111.0680	0.099	9	111.5459	0.829	59	112.0494	2.573	92	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCH)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCH){1|C<2>,1|C<4>}	S[5a](C[5a]C[5a]C)2{2|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH){1|C<2>}	111.3400	0.130	2	111.5530	0.103	6	111.5459	0.829	59	112.0494	2.573	92	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCH)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCH){1|C<3>,1|C<4>}	S[5a](C[5a]C[5a]C)2{2|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH){1|C<3>}	111.6595	0.348	4	111.5530	0.103	6	111.5459	0.829	59	112.0494	2.573	92	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCO)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCO){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CH3){1|H<1>}	110.7710	0.299	3	110.7710	0.089	3	111.5459	0.829	59	112.0494	2.573	92	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCO)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCO){1|C<3>,1|N<2>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3){1|N<2>}	111.5215	0.791	2	111.6267	0.346	3	111.5459	0.829	59	112.0494	2.573	92	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCO)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCO){1|C<3>,1|N<3>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3){1|N<3>}	111.8370	0.000	1	111.6267	0.346	3	111.5459	0.829	59	112.0494	2.573	92	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CC[5a]O)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CC[5a]O){1|C<3>,1|N<3>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3){1|N<3>}	111.4580	0.000	1	111.4580	0.000	1	111.5459	0.829	59	112.0494	2.573	92	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CC[6]H)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CC[6]H){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CH3){1|H<1>}	110.2770	0.134	2	110.2770	0.018	2	111.5459	0.829	59	112.0494	2.573	92	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CC[6]N)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CC[6]N){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CH3){1|H<1>}	108.4170	0.000	1	108.4170	0.000	1	111.5459	0.829	59	112.0494	2.573	92	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CC[6]Zr)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CC[6]Zr){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CCHH){1|H<1>}	109.7805	0.073	2	109.7805	0.005	2	111.5459	0.829	59	112.0494	2.573	92	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CHN)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CHN){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CH3){1|H<1>}	111.6790	0.013	2	111.6790	0.000	2	111.5459	0.829	59	112.0494	2.573	92	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CHO)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CC[5a]HO)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CHO){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CC[5a]HO){1|H<1>}	111.3310	0.460	2	111.3310	0.211	2	111.5459	0.829	59	112.0494	2.573	92	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CHO)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CHO){1|C<3>,1|C<4>}	S[5a](C[5a]C[5a]C)2{2|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH){1|C<3>}	112.1490	0.000	1	112.1490	0.000	1	111.5459	0.829	59	112.0494	2.573	92	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CHO)	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CHO){2|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3){1|C<3>}	112.4960	0.233	2	112.4960	0.054	2	111.5459	0.829	59	112.0494	2.573	92	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CHO)	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]N)(C[5a]S[5a]C)(CC[6a]HH)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CHO){1|C<3>,1|N<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]N)(C[5a]S[5a]C)(CC[6a]HH){1|C<3>}	113.0520	0.000	1	113.0520	0.000	1	111.5459	0.829	59	112.0494	2.573	92	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CNO)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CC[6a]HH)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CNO){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CC[6a]HH){1|H<1>}	111.5450	0.000	1	111.5450	0.000	1	111.5459	0.829	59	112.0494	2.573	92	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CNO)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CNO){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CH3){1|H<1>}	111.4810	0.000	1	111.4810	0.000	1	111.5459	0.829	59	112.0494	2.573	92	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CNO)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CNO){1|C<3>,1|C<4>}	S[5a](C[5a]C[5a]C)2{2|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3){1|C<3>}	112.4955	0.277	4	112.4955	0.077	4	111.5459	0.829	59	112.0494	2.573	92	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(COO)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]I)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(COO){1|C<2>,1|I<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]I){1|C<2>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3){1|I<1>}	112.1780	0.000	1	112.1780	0.000	1	111.5459	0.829	59	112.0494	2.573	92	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(COO)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(COO){1|C<2>,1|N<3>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<2>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH){1|N<3>}	112.0480	0.065	2	112.0480	0.004	2	111.5459	0.829	59	112.0494	2.573	92	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(COO)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(COO){1|C<3>,1|N<2>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3){1|N<2>}	112.8953	0.758	3	112.8118	0.244	6	111.5459	0.829	59	112.0494	2.573	92	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(COO)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(COO){1|C<3>,1|N<3>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3){1|N<3>}	112.7283	0.119	3	112.8118	0.244	6	111.5459	0.829	59	112.0494	2.573	92	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(COO)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]S)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(COO){1|C<3>,1|S<2>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]S){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3){1|S<2>}	112.2750	0.000	1	112.2750	0.000	1	111.5459	0.829	59	112.0494	2.573	92	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5]-4:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CC[6]H)	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]O[5]2H)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CC[6]H){1|Br<1>,2|H<1>,2|O<2>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]O[5]2H){1|Br<1>,2|C<4>}	110.0910	0.228	2	110.0910	0.052	2	110.0910	0.052	2	112.0494	2.573	92	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N-4:	C[5a](C[5a]C[5a]N)(S[5a]C[5a])(COO)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(NH3)	C[5a](C[5a]C[5a]N)(S[5a]C[5a])(COO){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<4>,1|N<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(NH3){1|H<1>}	110.4900	0.000	1	110.4900	0.000	1	110.4900	0.000	1	112.0494	2.573	92	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:Se-4:	C[5a](C[5a]C[5a]Se)(S[5a]C[5a])(CNO)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(SeC[6a]OO)	C[5a](C[5a]C[5a]Se)(S[5a]C[5a])(CNO){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|Se<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(SeC[6a]OO){1|H<1>}	109.4930	0.000	1	109.4930	0.000	1	109.4930	0.000	1	112.0494	2.573	92	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C[5]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(C[5]C[5]2)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]S[5a]C[5])(CH3)	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>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5]){1|H<1>,2|C<4>,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>}	113.4337	0.714	3	113.4337	0.510	3	113.2032	0.396	5	112.0494	2.573	92	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C[5]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(C[5]C[5]2)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[5])(CCHO)	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>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5]){1|H<1>,2|C<4>,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>}	113.1450	0.000	1	113.1450	0.000	1	113.2032	0.396	5	112.0494	2.573	92	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C[5]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(C[5]C[5]2)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[5])(CH3)	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>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5]){1|H<1>,2|C<4>,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>}	112.5700	0.000	1	112.5700	0.000	1	113.2032	0.396	5	112.0494	2.573	92	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C[5]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(C[5]C[5]2)	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[5])	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(CH3)	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>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[5]){1|H<1>,2|C<4>,3|C<3>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(CH3){1|C<4>,2|C<3>}	111.7655	0.235	2	111.7655	0.055	2	111.7655	0.055	2	112.0494	2.573	92	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a,5a]C)(S[5a]C[5a,5a])(C[6a]C[6a]2)	S[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]C[6a])	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]S[5a])(CH3)	C[5a](C[5a]N[5a,5a]C)(S[5a]C[5a,5a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	S[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]C[6a]){1|C<4>,4|C<3>}	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]S[5a])(CH3){1|H<1>,1|N<2>,3|C<3>}	118.0825	5.740	2	118.0825	32.943	2	116.3090	25.907	3	112.0494	2.573	92	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a,5a]C)(S[5a]C[5a,5a])(C[6a]C[6a]2)	S[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]C[6a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]S[5a])(CH3)	C[5a](C[5a]N[5a,5a]C)(S[5a]C[5a,5a])(C[6a]C[6a]2){2|C<3>,2|H<1>,2|N<2>}	S[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]C[6a]){1|C<4>,1|N<2>,3|C<3>}	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]S[5a])(CH3){1|N<2>,3|C<3>}	112.7620	0.000	1	112.7620	0.000	1	116.3090	25.907	3	112.0494	2.573	92	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(C[6a]C[6a]2)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(CHHO)	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(CHHO){1|H<1>,4|C<3>}	112.4210	0.000	2	112.4210	0.000	2	112.4210	0.000	2	112.0494	2.573	92	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NOO)	S[5a](C[5a]C[5a]H)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(CCHH)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NOO){2|H<1>}	S[5a](C[5a]C[5a]H)(C[5a]C[5a]N){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(CCHH){1|H<1>}	114.4190	0.000	1	114.4190	0.000	1	114.0945	0.211	2	112.0494	2.573	92	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NSS)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(CH3)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NSS){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(CH3){1|C<3>}	113.7700	0.000	1	113.7700	0.000	1	114.0945	0.211	2	112.0494	2.573	92	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a]S)(S[5a]C[5a])(NC[6a]H)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]N)(C[5a]S[5a]N)(SC[6a]OO)	C[5a](C[5a]C[5a]S)(S[5a]C[5a])(NC[6a]H){1|C<3>,1|N<2>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|N<2>,1|S<4>}	C[5a](C[5a]C[5a]N)(C[5a]S[5a]N)(SC[6a]OO){1|C<3>}	112.0410	0.000	1	112.0410	0.000	1	112.0410	0.000	1	112.0494	2.573	92	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:4:3:	C[5a]-3:S[5a]-2:B[5]-3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6]-4:C[5a]-3:	C[5a](C[5a]C[5a]C[6])(S[5a]C[5a])(B[5]O[5]2)	S[5a](C[5a]C[5a]B[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]B[5])(C[6]C[6]N[6]H)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6])(S[5a]C[5a])(B[5]O[5]2){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	S[5a](C[5a]C[5a]B[5])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|O<2>}	C[5a](C[5a]S[5a]B[5])(C[6]C[6]N[6]H)(C[5a]C[5a]H){2|H<1>,2|O<2>,3|C<3>}	110.0070	0.146	2	110.0070	0.021	2	110.0070	0.021	2	110.9843	2.876	3	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:3:	3:3:	3:4:3:	C[5a]-3:S[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5])(S[5a]C[5a,6a])(CC[6a]O)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]2Fe)(C[5a]S[5a]C)	C[5a](C[5a]C[5a,6a]C[5])(S[5a]C[5a,6a])(CC[6a]O){1|Fe<10>,2|C<3>,2|C<4>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]2Fe)(C[5a]S[5a]C){2|C<3>,2|C<4>,3|H<1>}	112.9390	0.000	1	112.9390	0.000	1	112.9390	0.000	1	110.9843	2.876	3	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:2:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:Br-1:	C[5a](C[5a]N[5a]Br)(S[5a]C[5a])(CC[5]HO)	S[5a](C[5a]N[5a]Br)(C[5a]C[5a]C)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(Br)	C[5a](C[5a]N[5a]Br)(S[5a]C[5a])(CC[5]HO){1|Br<1>}	S[5a](C[5a]N[5a]Br)(C[5a]C[5a]C){1|Br<1>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(Br){1|Br<1>}	108.9245	1.176	2	108.9245	1.383	2	108.8203	0.724	3	108.8591	0.522	66	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:2:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:Br-1:	C[5a](C[5a]N[5a]Br)(S[5a]C[5a])(CC[6a]HO)	S[5a](C[5a]C[5a]C)(C[5a]N[5a]N)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(Br)	C[5a](C[5a]N[5a]Br)(S[5a]C[5a])(CC[6a]HO){1|N<3>}	S[5a](C[5a]C[5a]C)(C[5a]N[5a]N){1|Br<1>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(Br){1|N<3>}	108.6120	0.000	1	108.6120	0.000	1	108.8203	0.724	3	108.8591	0.522	66	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:2:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:Cl-1:	C[5a](C[5a]N[5a]Cl)(S[5a]C[5a])(CCHN)	S[5a](C[5a]N[5a]Cl)(C[5a]C[5a]C)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(Cl)	C[5a](C[5a]N[5a]Cl)(S[5a]C[5a])(CCHN){1|Cl<1>}	S[5a](C[5a]N[5a]Cl)(C[5a]C[5a]C){1|Cl<1>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(Cl){1|Cl<1>}	108.0320	0.000	1	108.0320	0.000	1	108.0320	0.000	1	108.8591	0.522	66	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:2:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CClHH)	S[5a](C[5a]N[5a]Cl)(C[5a]C[5a]C)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CClHH){1|Cl<1>}	S[5a](C[5a]N[5a]Cl)(C[5a]C[5a]C){1|H<1>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H){1|Cl<1>}	108.3240	0.000	1	108.3240	0.000	1	108.8451	0.476	61	108.8591	0.522	66	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:2:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)(C[5a]N[5a]N)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CH3){1|N<2>}	S[5a](C[5a]C[5a]C)(C[5a]N[5a]N){1|H<1>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H){1|N<2>}	108.3396	0.747	12	108.8598	0.657	41	108.8451	0.476	61	108.8591	0.522	66	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:2:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)(C[5a]N[5a]N)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CH3){1|N<3>}	S[5a](C[5a]C[5a]C)(C[5a]N[5a]N){1|H<1>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H){1|N<3>}	109.0751	0.745	29	108.8598	0.657	41	108.8451	0.476	61	108.8591	0.522	66	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:2:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CH3){1|C<3>}	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C){1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H){1|C<3>}	108.9160	0.000	1	108.6015	0.198	2	108.8451	0.476	61	108.8591	0.522	66	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:2:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CH3){1|C<3>}	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H){1|C<3>}	108.2870	0.000	1	108.6015	0.198	2	108.8451	0.476	61	108.8591	0.522	66	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:2:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CH3)	S[5a](C[5a]N[5a]N[6])(C[5a]C[5a]C)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CH3){1|N<3>}	S[5a](C[5a]N[5a]N[6])(C[5a]C[5a]C){1|H<1>,2|C<3>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H){1|N<3>}	108.7820	0.000	1	108.7820	0.000	1	108.8451	0.476	61	108.8591	0.522	66	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:2:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CHHO)	S[5a](C[5a]N[5a]Cl)(C[5a]C[5a]C)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CHHO){1|Cl<1>}	S[5a](C[5a]N[5a]Cl)(C[5a]C[5a]C){1|H<1>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H){1|Cl<1>}	108.9030	0.464	4	108.9030	0.216	4	108.8451	0.476	61	108.8591	0.522	66	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:2:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CHHS)	S[5a](C[5a]N[5a]Cl)(C[5a]C[5a]C)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CHHS){1|Cl<1>}	S[5a](C[5a]N[5a]Cl)(C[5a]C[5a]C){1|H<1>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H){1|Cl<1>}	108.5500	0.000	1	108.5500	0.000	1	108.8451	0.476	61	108.8591	0.522	66	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:2:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CN[5]HH)	S[5a](C[5a]N[5a]Br)(C[5a]C[5a]C)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CN[5]HH){1|Br<1>}	S[5a](C[5a]N[5a]Br)(C[5a]C[5a]C){1|H<1>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H){1|Br<1>}	108.8590	0.000	1	108.8590	0.000	1	108.8451	0.476	61	108.8591	0.522	66	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:2:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CN[5]HH)	S[5a](C[5a]N[5a]Cl)(C[5a]C[5a]C)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CN[5]HH){1|Cl<1>}	S[5a](C[5a]N[5a]Cl)(C[5a]C[5a]C){1|H<1>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H){1|Cl<1>}	108.6990	0.000	1	108.6990	0.000	1	108.8451	0.476	61	108.8591	0.522	66	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:2:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CN[5a]HH)	S[5a](C[5a]N[5a]Cl)(C[5a]C[5a]C)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CN[5a]HH){1|Cl<1>}	S[5a](C[5a]N[5a]Cl)(C[5a]C[5a]C){1|H<1>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H){1|Cl<1>}	109.0850	0.251	4	109.0850	0.063	4	108.8451	0.476	61	108.8591	0.522	66	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:2:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CN[6]HH)	S[5a](C[5a]N[5a]Cl)(C[5a]C[5a]C)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CN[6]HH){1|Cl<1>}	S[5a](C[5a]N[5a]Cl)(C[5a]C[5a]C){1|H<1>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H){1|Cl<1>}	108.7856	0.348	5	108.7856	0.121	5	108.8451	0.476	61	108.8591	0.522	66	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:2:1:	C[5a]-3:S[5a]-2:S-4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(SC[6a]OO)	S[5a](C[5a]C[5a]S)(C[5a]N[5a]N)	C[5a](C[5a]S[5a]S)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(SC[6a]OO){1|N<3>}	S[5a](C[5a]C[5a]S)(C[5a]N[5a]N){1|H<1>}	C[5a](C[5a]S[5a]S)(N[5a]C[5a])(H){1|N<3>}	110.6590	0.000	1	110.6590	0.000	1	110.6590	0.000	1	108.8591	0.522	66	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:2:2:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:O-2:	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[6a]CH)	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(OC)	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[6a]CH){1|C<3>}	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|O<2>,2|C<3>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(OC){1|C<3>}	107.3410	0.000	1	107.3410	0.000	1	107.8095	0.439	2	113.1227	17.080	6	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:2:2:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:O-2:	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(OH)	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CH3){1|C<3>}	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C){1|N<2>,1|O<2>,1|S<2>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(OH){1|C<3>}	108.2780	0.000	1	108.2780	0.000	1	107.8095	0.439	2	113.1227	17.080	6	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:2:2:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:S-2:	C[5a](C[5a]S[5a]S)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)(C[5a]S[5a]O)	C[5a](C[5a]S[5a]C)(S[5a]C[5a])(SS)	C[5a](C[5a]S[5a]S)(S[5a]C[5a])(CH3){1|O<1>}	S[5a](C[5a]C[5a]C)(C[5a]S[5a]O){1|S<2>}	C[5a](C[5a]S[5a]C)(S[5a]C[5a])(SS){1|O<1>}	115.8135	0.227	2	115.8135	0.052	2	115.8135	0.052	2	113.1227	17.080	6	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:2:2:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:Se-2:	C[5a](C[5a]S[5a]Se)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)(C[5a]S[5a]O)	C[5a](C[5a]S[5a]C)(S[5a]C[5a])(SeSe)	C[5a](C[5a]S[5a]Se)(S[5a]C[5a])(CH3){1|O<1>}	S[5a](C[5a]C[5a]C)(C[5a]S[5a]O){1|Se<2>}	C[5a](C[5a]S[5a]C)(S[5a]C[5a])(SeSe){1|O<1>}	115.7450	0.464	2	115.7450	0.215	2	115.7450	0.215	2	113.1227	17.080	6	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:2:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CCCH)	S[5a](C[5a]C[5a]C)(C[5a]N[5a]N)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(COO)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CCCH){1|N<3>}	S[5a](C[5a]C[5a]C)(C[5a]N[5a]N){1|C<3>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(COO){1|N<3>}	108.4100	0.000	1	108.4100	0.000	1	109.0010	0.699	2	109.7707	9.024	14	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:2:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CF3)	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(COO)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CF3){1|C<3>}	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){3|C<3>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(COO){1|C<3>}	109.5920	0.000	1	109.5920	0.000	1	109.0010	0.699	2	109.7707	9.024	14	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:2:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[5]-3:	C[5a](C[5a]N[5a]C[5])(S[5a]C[5a])(CH3)	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	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){1|C<4>,2|C<3>}	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){3|C<3>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(C[5]C[5]2){1|O<2>,5|C<3>}	108.8110	0.000	1	108.5184	0.094	10	108.5184	0.094	10	109.7707	9.024	14	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:2:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[5]-3:	C[5a](C[5a]N[5a]C[5])(S[5a]C[5a])(CH3)	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	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){1|C<4>,2|C<3>}	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){3|C<3>}	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>}	108.4859	0.307	9	108.5184	0.094	10	108.5184	0.094	10	109.7707	9.024	14	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:2:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:C-3:	C[5a](C[5a]S[5a]C)(S[5a]C[5a])(CH3)	S[5a](C[5a]S[5a]C[5])(C[5a]C[5a]C)	C[5a](C[5a]S[5a]C)(S[5a]C[5a])(CHH)	C[5a](C[5a]S[5a]C)(S[5a]C[5a])(CH3){1|C<3>}	S[5a](C[5a]S[5a]C[5])(C[5a]C[5a]C){1|C<3>,2|S<2>}	C[5a](C[5a]S[5a]C)(S[5a]C[5a])(CHH){1|C<3>}	116.8020	0.139	2	116.8020	0.019	2	116.8020	0.019	2	109.7707	9.024	14	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:2:4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CCCH)	S[5a](C[5a]C[5a]C)(C[5a]N[5a]N)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CCCH){1|N<3>}	S[5a](C[5a]C[5a]C)(C[5a]N[5a]N){1|C<4>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3){1|N<3>}	109.4210	0.000	1	109.4210	0.000	1	109.5198	0.111	13	113.0021	14.177	30	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:2:4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CC[6]HH)	S[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CC[6]HH){1|C<4>}	S[5a](C[5a]C[5a]C)(C[5a]N[5a]C){1|C<4>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3){1|C<4>}	108.8270	0.000	1	108.8270	0.000	1	109.5198	0.111	13	113.0021	14.177	30	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:2:4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CC[6a]HH)	S[5a](C[5a]C[5a]C)(C[5a]N[5a]N)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CC3)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CC[6a]HH){1|N<2>}	S[5a](C[5a]C[5a]C)(C[5a]N[5a]N){1|C<4>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CC3){1|N<2>}	109.8027	0.328	3	109.6436	0.107	5	109.5198	0.111	13	113.0021	14.177	30	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:2:4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CC[6a]HH)	S[5a](C[5a]C[5a]C)(C[5a]N[5a]N)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CC3)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CC[6a]HH){1|N<3>}	S[5a](C[5a]C[5a]C)(C[5a]N[5a]N){1|C<4>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CC3){1|N<3>}	109.4050	0.154	2	109.6436	0.107	5	109.5198	0.111	13	113.0021	14.177	30	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:2:4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CC[6a]HH)	S[5a](C[5a]N[5a]N[5])(C[5a]C[5a]C)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CC3)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CC[6a]HH){1|N<3>}	S[5a](C[5a]N[5a]N[5])(C[5a]C[5a]C){1|C<4>,2|C<3>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CC3){1|N<3>}	109.9510	0.000	1	109.9510	0.000	1	109.5198	0.111	13	113.0021	14.177	30	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:2:4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)(C[5a]N[5a]N)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CH3){1|N<3>}	S[5a](C[5a]C[5a]C)(C[5a]N[5a]N){1|C<4>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3){1|N<3>}	109.5010	0.119	2	109.5010	0.014	2	109.5198	0.111	13	113.0021	14.177	30	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:2:4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)(C[5a]N[5a]P)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CH3){1|P<3>}	S[5a](C[5a]C[5a]C)(C[5a]N[5a]P){1|C<4>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3){1|P<3>}	109.4460	0.241	3	109.4460	0.058	3	109.5198	0.111	13	113.0021	14.177	30	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:2:4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5a]S[5a]C)(S[5a]C[5a])(CBrHH)	S[5a](C[5a]C[5a]C)(C[5a]S[5a]O)	C[5a](C[5a]S[5a]C)(S[5a]C[5a])(CBrHH)	C[5a](C[5a]S[5a]C)(S[5a]C[5a])(CBrHH){1|O<1>}	S[5a](C[5a]C[5a]C)(C[5a]S[5a]O){1|C<4>}	C[5a](C[5a]S[5a]C)(S[5a]C[5a])(CBrHH){1|O<1>}	117.1560	0.000	1	117.1560	0.000	1	116.7670	2.631	14	113.0021	14.177	30	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:2:4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5a]S[5a]C)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)(C[5a]S[5a]O)	C[5a](C[5a]S[5a]C)(S[5a]C[5a])(CH3)	C[5a](C[5a]S[5a]C)(S[5a]C[5a])(CH3){1|O<1>}	S[5a](C[5a]C[5a]C)(C[5a]S[5a]O){1|C<4>}	C[5a](C[5a]S[5a]C)(S[5a]C[5a])(CH3){1|O<1>}	116.9080	0.027	2	116.9080	0.001	2	116.7670	2.631	14	113.0021	14.177	30	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:2:4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5a]S[5a]C)(S[5a]C[5a])(CHHO)	S[5a](C[5a]C[5a]C)(C[5a]S[5a]O)	C[5a](C[5a]S[5a]C)(S[5a]C[5a])(CHHO)	C[5a](C[5a]S[5a]C)(S[5a]C[5a])(CHHO){1|O<1>}	S[5a](C[5a]C[5a]C)(C[5a]S[5a]O){1|C<4>}	C[5a](C[5a]S[5a]C)(S[5a]C[5a])(CHHO){1|O<1>}	116.6732	1.939	10	116.6732	3.761	10	116.7670	2.631	14	113.0021	14.177	30	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:2:4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5a]S[5a]C)(S[5a]C[5a])(CHHP)	S[5a](C[5a]C[5a]C)(C[5a]S[5a]O)	C[5a](C[5a]S[5a]C)(S[5a]C[5a])(CHHP)	C[5a](C[5a]S[5a]C)(S[5a]C[5a])(CHHP){1|O<1>}	S[5a](C[5a]C[5a]C)(C[5a]S[5a]O){1|C<4>}	C[5a](C[5a]S[5a]C)(S[5a]C[5a])(CHHP){1|O<1>}	117.0340	0.000	1	117.0340	0.000	1	116.7670	2.631	14	113.0021	14.177	30	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:2:4:	C[5a]-3:S[5a]-2:P-4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(PO3)	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]P)	C[5a](C[5a]S[5a]P)(N[5a]C[5a])(CH3)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(PO3){1|C<3>}	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]P){1|C<4>,2|C<3>}	C[5a](C[5a]S[5a]P)(N[5a]C[5a])(CH3){1|C<3>}	109.8080	0.000	1	109.8080	0.000	1	109.8080	0.000	1	113.0021	14.177	30	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:2:4:	C[5a]-3:S[5a]-2:S-4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(SC[6a]OO)	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]S)	C[5a](C[5a]S[5a]S)(N[5a]C[5a])(CH3)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(SC[6a]OO){1|C<3>}	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]S){1|C<4>,2|C<3>}	C[5a](C[5a]S[5a]S)(N[5a]C[5a])(CH3){1|C<3>}	111.2810	0.000	1	111.2810	0.000	1	110.8805	0.321	2	113.0021	14.177	30	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:2:4:	C[5a]-3:S[5a]-2:S-4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(SN[5]OO)	S[5a](C[5a]C[5a]S)(C[5a]N[5a]C)	C[5a](C[5a]S[5a]S)(N[5a]C[5a])(CH3)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(SN[5]OO){1|C<4>}	S[5a](C[5a]C[5a]S)(C[5a]N[5a]C){1|C<4>}	C[5a](C[5a]S[5a]S)(N[5a]C[5a])(CH3){1|C<4>}	110.4800	0.000	1	110.4800	0.000	1	110.8805	0.321	2	113.0021	14.177	30	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:As-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(AsC[5a]2O)	S[5a](C[5a]C[5a]As)(C[5a]C[5a]H)	C[5a](C[5a]S[5a]As)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(AsC[5a]2O){2|H<1>}	S[5a](C[5a]C[5a]As)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]S[5a]As)(C[5a]C[5a]H)(H){1|H<1>}	111.6295	0.428	2	111.6295	0.183	2	111.6295	0.183	2	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:B-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(BC[6]OO)	S[5a](C[5a]C[5a]B)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]B)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(BC[6]OO){2|H<1>}	S[5a](C[5a]C[5a]B)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]B)(H){1|H<1>}	108.2070	0.523	2	108.2070	0.274	2	108.5973	0.829	7	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:B-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(BC[6a]2F)	S[5a](C[5a]C[5a]B)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]B)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(BC[6a]2F){1|C<2>,1|H<1>}	S[5a](C[5a]C[5a]B)(C[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]B)(H){1|C<2>}	108.2955	0.163	4	108.2955	0.027	4	108.5973	0.829	7	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:B-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(BRuHH)	S[5a](C[5a]C[5a]B)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]B)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(BRuHH){2|H<1>}	S[5a](C[5a]C[5a]B)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]B)(H){1|H<1>}	110.5850	0.000	1	110.5850	0.000	1	108.5973	0.829	7	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(CCHH)	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]C)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(CCHH){2|C<3>}	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]C)(H){1|N<2>,2|C<3>}	111.5490	0.000	1	111.4945	0.006	2	111.6907	0.118	3	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(CCHH)	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]C)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(CCHH){2|C<3>}	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]C)(H){3|C<3>}	111.4400	0.000	1	111.4945	0.006	2	111.6907	0.118	3	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(CN[6a]HH)	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]C)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(CN[6a]HH){2|C<4>}	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]C){1|H<1>,1|N<3>,3|C<4>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]C)(H){1|N<3>,3|C<4>}	112.0830	0.000	1	112.0830	0.000	1	111.6907	0.118	3	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a,5a]Br)(S[5a]C[5a,5a])(CCHH)	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(Br)	C[5a](C[5a]C[5a,5a]Br)(S[5a]C[5a,5a])(CCHH){1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C){1|Br<1>,1|S<2>,2|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(Br){2|C<3>}	111.0210	0.000	1	111.0210	0.000	1	111.0210	0.000	1	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CCHH)	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]C)	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CCHH){2|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)(H){1|N<2>,2|C<3>}	110.9760	0.000	1	111.2395	0.139	2	112.1480	1.032	5	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CCHH)	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]C)	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CCHH){2|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)(H){1|O<1>,2|C<3>}	111.5030	0.000	1	111.2395	0.139	2	112.1480	1.032	5	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CC[6a]HH)	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CC[6a]HH){1|C<3>,1|N<2>}	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]C){1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)(H){1|C<3>,1|N<2>,1|S<2>}	113.6540	0.000	1	113.6540	0.000	1	112.1480	1.032	5	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CH3)	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]C)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CH3){1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]C){1|C<3>,1|H<1>,2|S<2>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(H){2|C<3>}	112.3035	0.153	2	112.3035	0.024	2	112.1480	1.032	5	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:Cl-1:	C[5a](C[5a]C[5a,6a]Cl)(S[5a]C[5a,6a])(CCHH)	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(Cl)	C[5a](C[5a]C[5a,6a]Cl)(S[5a]C[5a,6a])(CCHH){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C){1|Cl<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(Cl){1|H<1>,2|C<3>}	110.2850	0.161	2	110.2850	0.026	2	110.2850	0.026	2	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CCCH)	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CCCH){1|C<3>,1|N<2>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H){1|N<2>,2|C<3>}	112.4650	0.044	2	112.4650	0.002	2	112.0134	0.816	78	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CCHH)	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]C)	C[5a](C[5a,6a]B[6a,6a]C[5a,6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CCHH){1|B<3>,1|C<3>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]C){1|B<3>,1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a,6a]B[6a,6a]C[5a,6a])(C[5a]S[5a]C)(H){1|N<3>,2|C<3>}	110.9570	0.191	4	110.9570	0.036	4	112.0134	0.816	78	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CCHH)	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CCHH){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]S[5a]C)(H){1|N<3>,2|C<3>}	111.3965	0.343	2	111.4570	0.044	4	112.0134	0.816	78	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CCHH)	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CCHH){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]S[5a]C)(H){1|S<2>,2|C<3>}	111.5175	0.028	2	111.4570	0.044	4	112.0134	0.816	78	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CCHH)	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CCHH){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]C){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]C)(H){1|N<2>,2|C<3>}	111.1977	0.139	6	111.1977	0.019	6	112.0134	0.816	78	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CCHH)	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]N[6a,6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CCHH){1|C<3>,1|N<3>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]C){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5a](C[5a,6a]C[5a,6a]N[6a,6a])(C[5a]S[5a]C)(H){1|B<3>,2|C<3>}	111.5397	0.048	4	111.5397	0.002	4	112.0134	0.816	78	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CCHH)	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CCHH){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]S[5a]C)(H){3|C<3>}	111.5915	0.396	4	111.5915	0.157	4	112.0134	0.816	78	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CCHH)	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CCHH){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]C)(H){3|C<3>}	111.9148	0.573	17	111.9148	0.328	17	112.0134	0.816	78	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CCHH)	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CCHH){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H){1|H<1>,2|C<3>}	111.1815	0.040	2	111.1815	0.002	2	112.0134	0.816	78	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CCHH)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CCHH){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H){1|H<1>,2|C<3>}	111.9925	0.736	6	111.9925	0.541	6	112.0134	0.816	78	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CCHH)	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CCHH){1|C<3>,1|N<2>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H){1|N<2>,1|N<3>,1|O<1>}	111.4300	0.000	1	111.4300	0.000	1	112.0134	0.816	78	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CCHN)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CCHN){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H){1|H<1>,2|C<3>}	112.1520	0.021	2	112.1520	0.000	2	112.0134	0.816	78	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CC[5a]CO)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CC[5a]CO){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H){1|H<1>,2|C<3>}	113.3944	0.432	8	113.3944	0.186	8	112.0134	0.816	78	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CC[5a]C[6a]O)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CC[5a]C[6a]O){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H){1|H<1>,2|C<3>}	112.8840	0.556	6	112.8840	0.309	6	112.0134	0.816	78	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CH3)	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]C)	C[5a](C[5a,6a]B[6a,6a]C[5a,6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CH3){1|B<3>,1|C<3>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]C){1|B<3>,1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a,6a]B[6a,6a]C[5a,6a])(C[5a]S[5a]C)(H){1|N<3>,2|C<3>}	110.7210	0.117	2	110.7210	0.014	2	112.0134	0.816	78	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CH3)	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]N[6a,6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CH3){1|C<3>,1|N<3>}	S[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]C){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5a](C[5a,6a]C[5a,6a]N[6a,6a])(C[5a]S[5a]C)(H){1|B<3>,2|C<3>}	111.7075	0.549	2	111.7075	0.302	2	112.0134	0.816	78	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CH3)	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CH3){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]C)(H){3|C<3>}	111.6870	0.000	1	111.6870	0.000	1	112.0134	0.816	78	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CH3)	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CH3){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H){1|H<1>,2|C<3>}	111.4700	0.000	1	111.4700	0.000	1	112.0134	0.816	78	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CH3)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CH3){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H){3|C<3>}	111.5080	0.228	2	112.8782	2.043	5	112.0134	0.816	78	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CH3)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CH3){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H){1|H<1>,2|C<3>}	112.6780	0.000	1	112.8782	2.043	5	112.0134	0.816	78	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CH3)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CH3){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H){3|C<3>}	114.3485	0.006	2	112.8782	2.043	5	112.0134	0.816	78	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CN[6a]CH)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CN[6a]CH){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H){1|H<1>,2|C<3>}	113.2790	0.000	1	113.2790	0.000	1	112.0134	0.816	78	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a,6a]H)(S[5a]C[5a,6a])(CH3)	S[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]C)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]N[5a,6a]H)(S[5a]C[5a,6a])(CH3){1|C<3>,1|N<2>}	S[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H){1|C<3>,1|N<2>,1|O<1>}	110.9020	0.000	1	110.9020	0.000	1	110.9020	0.000	1	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a]Br)(S[5a]C[5a])(CC[6a]HH)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(Br)	C[5a](C[5a]C[5a]Br)(S[5a]C[5a])(CC[6a]HH){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C)2{1|Br<1>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(Br){1|C<4>}	107.8360	0.000	1	107.8360	0.000	1	108.8215	0.492	4	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a]Br)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(Br)	C[5a](C[5a]C[5a]Br)(S[5a]C[5a])(CH3){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C)2{1|Br<1>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(Br){1|C<3>}	109.4750	0.000	1	109.4750	0.000	1	108.8215	0.492	4	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a]Br)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(Br)	C[5a](C[5a]C[5a]Br)(S[5a]C[5a])(CH3){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|Br<1>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(Br){1|C<3>}	108.9875	0.155	2	108.9875	0.024	2	108.8215	0.492	4	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a](C[5a]C[5a]Cl)(S[5a]C[5a])(CC3)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]B)(C[5a]S[5a]C)(Cl)	C[5a](C[5a]C[5a]Cl)(S[5a]C[5a])(CC3){1|B<3>,1|C<4>}	S[5a](C[5a]C[5a]C)2{1|Cl<1>,1|B<3>}	C[5a](C[5a]C[5a]B)(C[5a]S[5a]C)(Cl){1|C<4>}	107.1990	0.000	1	107.1990	0.000	1	107.1990	0.000	1	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC3)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC3){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<4>}	109.7188	0.586	4	109.7188	0.344	4	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC3)	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC3){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	107.5910	0.000	1	107.5910	0.000	1	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCCH)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCCH){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	109.5800	0.827	2	109.5800	0.684	2	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCCH)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCCH){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<4>}	109.8190	0.000	1	109.8190	0.000	1	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCCO)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCCO){1|H<1>,1|N<3>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|N<3>}	111.0020	0.000	1	111.0020	0.000	1	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHH)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]B)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHH){1|B<3>,1|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|B<3>,1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]B)(C[5a]S[5a]C)(H){1|C<3>}	109.9890	0.000	1	109.9865	0.000	2	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHH)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]B)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHH){1|B<4>,1|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|B<4>,1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]B)(C[5a]S[5a]C)(H){1|C<3>}	109.9840	0.000	1	109.9865	0.000	2	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHH)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	109.8394	1.504	7	109.8394	2.262	7	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHH)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]P)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHH){1|C<3>,1|P<4>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|H<1>,1|P<4>,1|S<2>}	C[5a](C[5a]C[5a]P)(C[5a]S[5a]C)(H){1|C<3>}	109.9600	0.198	2	109.9600	0.039	2	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHH)	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHH){1|Br<1>,1|H<1>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|Br<1>}	110.5067	1.130	3	110.5067	1.277	3	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHH)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(H){1|H<1>,2|C<3>}	109.8684	0.619	5	109.8684	0.383	5	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHH)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHH){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	110.9725	0.952	12	110.9725	0.907	12	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHH)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]2)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHH){1|C<3>,1|N<3>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]2)(C[5a]S[5a]C)(H){1|N<2>,2|N<3>}	110.2590	0.000	1	110.2590	0.000	1	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHH)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHH){1|C<3>,1|N<2>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(H){1|N<2>}	110.5440	0.000	1	110.9285	0.244	13	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHH)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHH){1|C<3>,1|N<3>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(H){1|N<3>}	110.9605	0.502	12	110.9285	0.244	13	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHH)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]Br)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHH){1|Br<1>,1|C<4>}	S[5a](C[5a]C[5a]C)2{1|Br<1>,1|H<1>}	C[5a](C[5a]C[5a]Br)(C[5a]S[5a]C)(H){1|C<4>}	110.2810	0.000	1	110.2810	0.000	1	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHH)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	111.1175	0.783	2	111.1175	0.613	2	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHH)	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	111.0930	0.000	1	111.0930	0.000	1	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHH)	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	109.9040	0.000	1	109.9040	0.000	1	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHH)	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]Pt)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHH){1|Pt<4>,1|C<3>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C){1|Pt<4>,1|C<3>,1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]Pt)(C[5a]S[5a]C)(H){1|C<3>}	112.0140	0.061	2	112.0140	0.004	2	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHH)	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	110.1813	0.420	6	110.1813	0.176	6	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHN)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHN){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	110.9950	0.000	1	110.9950	0.000	1	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHN)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]O)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHN){1|H<1>,1|O<2>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]O){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|O<2>}	110.2410	0.000	1	110.2410	0.000	1	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHO)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHO){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	110.6154	1.631	7	110.6154	2.661	7	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHO)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHO){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<4>}	110.5970	0.000	1	110.5970	0.000	1	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHS)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CCHS){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	109.9550	0.593	2	109.9550	0.351	2	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]CH)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]CH){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	110.9450	2.995	4	110.9450	8.968	4	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]CO)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]CO){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	110.8170	0.000	1	110.8170	0.000	1	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]HH)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]HH){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	110.6257	1.210	4	110.6257	1.465	4	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]HN)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5]HN){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	110.8170	0.000	1	110.8170	0.000	1	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]2C)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]2C){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	110.2098	0.543	6	110.2341	0.193	9	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]2C)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]2C){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<4>}	110.2827	0.170	3	110.2341	0.193	9	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]CC)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]CC){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	109.3625	0.114	2	109.3625	0.013	2	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]CC)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]CC){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	110.2695	0.029	2	109.7597	0.208	51	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]CC)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]CC){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<4>}	109.7389	0.454	49	109.7597	0.208	51	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]CN)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]CN){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	110.3530	0.000	1	110.3530	0.000	1	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]HH)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]HH){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	111.2253	0.905	9	111.2253	0.819	9	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6]CH)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6]CH){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	113.7410	0.000	1	113.7410	0.000	1	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6a]2H)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6a]2H){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	110.8600	0.000	1	110.8600	0.000	1	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6a]2O)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6a]2O){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	110.3020	0.222	2	110.3020	0.049	2	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6a]CC)	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]Pt)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6a]CC){1|Pt<4>,1|C<3>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C){1|Pt<4>,1|C<3>,1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]Pt)(C[5a]S[5a]C)(H){1|C<3>}	110.6810	0.000	1	110.6810	0.000	1	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6a]CH)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6a]CH){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	110.2073	0.454	3	110.2073	0.206	3	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6a]CO)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6a]CO){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	111.1085	1.033	2	111.1085	1.067	2	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CDyCO)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CDyCO){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	111.8540	2.492	3	111.8540	6.209	3	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	110.1805	0.592	2	109.9407	0.348	3	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	109.4610	0.000	1	109.9407	0.348	3	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]2)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]2)(C[5a]S[5a]C)(H){1|H<1>,2|C<3>}	110.4430	0.132	2	110.4430	0.017	2	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(H){1|H<1>,2|C<3>}	109.1388	2.142	4	109.1388	4.588	4	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3){1|C<2>,1|N<3>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<2>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(H){1|N<3>}	111.0287	0.384	7	110.7168	0.158	65	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3){1|C<3>,1|N<2>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(H){1|N<2>}	111.9810	0.091	3	110.7168	0.158	65	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3){1|C<3>,1|N<3>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(H){1|N<3>}	110.6081	0.240	55	110.7168	0.158	65	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]P)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3){1|H<1>,1|P<4>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]P){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|P<4>}	110.1750	0.000	1	110.1750	0.000	1	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]2)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3){1|C<3>,1|C<4>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]2)(C[5a]S[5a]C)(H){1|C<3>,1|C<4>,1|N<2>}	109.9904	0.706	10	109.9139	0.241	30	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]2)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3){1|C<3>,1|C<4>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]2)(C[5a]S[5a]C)(H){1|C<3>,1|C<4>,1|N<3>}	109.9363	0.369	12	109.9139	0.241	30	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]2)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3){1|C<3>,1|C<4>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]2)(C[5a]S[5a]C)(H){1|C<3>,1|C<4>,1|S<2>}	109.9633	0.148	4	109.9139	0.241	30	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]2)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3){1|C<3>,1|C<4>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]2)(C[5a]S[5a]C)(H){1|C<4>,2|C<3>}	109.6058	0.407	4	109.9139	0.241	30	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3){1|C<3>,1|C<4>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(H){1|C<4>}	109.8648	0.181	6	109.8648	0.033	6	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3){1|C<3>,1|C<4>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H){1|C<3>,1|C<4>,1|N<3>}	109.9779	0.813	34	110.0695	0.503	79	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3){1|C<3>,1|C<4>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H){1|C<3>,1|C<4>,1|P<4>}	109.9093	0.163	3	110.0695	0.503	79	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3){1|C<3>,1|C<4>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H){1|C<3>,1|C<4>,1|S<4>}	109.4470	0.000	1	110.0695	0.503	79	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3){1|C<3>,1|C<4>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H){1|C<3>,2|C<4>}	110.2154	0.702	32	110.0695	0.503	79	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3){1|C<3>,1|C<4>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H){1|C<4>,2|C<3>}	110.0919	0.272	7	110.0695	0.503	79	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3){1|C<3>,1|C<4>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H){1|Si<4>,1|C<3>,1|C<4>}	109.7635	0.153	2	110.0695	0.503	79	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C[6])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3){1|C<3>,1|C<4>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[6])(C[5a]S[5a]C)(H){1|C<4>,2|C<3>}	110.3175	0.193	2	110.0001	0.128	8	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C[6])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3){2|C<4>}	S[5a](C[5a]C[5a]C)2{1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C[6])(C[5a]S[5a]C)(H){1|C<3>,1|O<2>,2|C<4>}	109.9855	0.315	4	110.0001	0.128	8	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C[6])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3){2|C<4>}	S[5a](C[5a]C[5a]C)2{1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C[6])(C[5a]S[5a]C)(H){1|C<4>,3|C<3>}	109.7120	0.437	2	110.0001	0.128	8	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3){1|C<3>,1|C<4>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(H){1|C<3>,1|C<4>,1|N<2>}	110.3320	0.000	1	110.2134	0.081	7	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3){1|C<3>,1|C<4>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(H){1|C<3>,1|C<4>,1|N<3>}	110.4740	0.000	1	110.2134	0.081	7	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3){1|C<3>,1|C<4>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(H){1|C<4>,2|C<3>}	110.1376	0.307	5	110.2134	0.081	7	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	110.6146	0.353	22	110.4900	0.173	28	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<4>}	110.0328	0.298	6	110.4900	0.173	28	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C){1|C<4>,1|N<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<4>}	109.9990	0.126	5	109.9990	0.016	5	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	110.4710	0.000	1	110.4710	0.000	1	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]Pt)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3){1|Pt<4>,1|C<3>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C){1|Pt<4>,1|C<3>,1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]Pt)(C[5a]S[5a]C)(H){1|C<3>}	110.5290	0.665	2	110.5290	0.442	2	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	110.7103	0.318	3	110.6132	0.126	10	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	110.5716	0.385	7	110.6132	0.126	10	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CH3){1|H<1>,1|N<3>}	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|N<3>}	110.0507	0.185	3	110.0507	0.034	3	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHHN)	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHHN){1|Br<1>,1|H<1>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|Br<1>}	110.2820	0.000	1	110.2820	0.000	1	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHHN)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHHN){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	111.3036	1.754	30	111.3036	3.078	30	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHHN)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHHN){1|C<3>,1|C<4>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H){1|C<3>,2|C<4>}	110.3996	0.157	5	110.3996	0.025	5	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHHN)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHHN){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<4>}	111.0421	0.372	7	111.0421	0.139	7	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHHO)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHHO){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	110.6550	0.000	1	110.6550	0.000	1	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHHO)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHHO){2|C<4>}	S[5a](C[5a]C[5a]C)2{1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(H){1|C<4>}	111.0320	0.000	1	111.0320	0.000	1	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHHO)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHHO){1|C<3>,1|C<4>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H){1|C<3>,2|C<4>}	110.6090	0.000	1	110.6090	0.000	1	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHHO)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHHO){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<4>}	110.6907	0.060	3	110.6907	0.004	3	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHHS)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHHS){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	111.3860	0.000	1	111.3860	0.000	1	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHHS)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CHHS){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<4>}	110.1905	0.339	2	110.1905	0.115	2	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CN[5]HH)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CN[5]HH){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	111.3220	0.000	1	111.3220	0.000	1	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CN[6]HH)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CN[6]HH){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	111.3070	0.652	5	111.3070	0.426	5	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CN[6]HH)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CN[6]HH){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<4>}	110.8020	0.000	1	110.8020	0.000	1	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CN[6a]HH)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CN[6a]HH){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	110.9220	0.000	1	110.9220	0.000	1	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(COOU)	S[5a](C[5a]C[5a]Cl)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(COOU){1|Cl<1>,1|H<1>}	S[5a](C[5a]C[5a]Cl)(C[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|Cl<1>}	110.8603	0.477	6	110.8603	0.228	6	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CRu2C)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CRu2C){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	108.1630	0.000	1	108.1630	0.000	1	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CRu2C)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CRu2C){1|C<2>,1|H<1>}	S[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<2>}	109.0090	0.000	1	109.0090	0.000	1	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CRuCC)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CRuCC){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	109.8310	0.000	1	109.8310	0.000	1	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CRuCC)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CRuCC){1|C<2>,1|H<1>}	S[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<2>}	110.6600	0.000	1	110.6600	0.000	1	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CRuCS)	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CRuCS){1|Br<1>,1|H<1>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|Br<1>}	109.6610	0.000	1	109.6610	0.000	1	110.3867	0.896	499	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:I-1:	C[5a](C[5a]C[5a]I)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]I)(C[5a]S[5a]C)(I)	C[5a](C[5a]C[5a]I)(S[5a]C[5a])(CH3){1|C<4>,1|I<1>}	S[5a](C[5a]C[5a]C)2{2|I<1>}	C[5a](C[5a]C[5a]I)(C[5a]S[5a]C)(I){1|C<4>}	109.4875	0.705	2	109.4875	0.497	2	109.4875	0.497	2	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:O-1:	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[5a]HH)	S[5a](C[5a]C[5a]C)(C[5a]N[5a]N)	C[5a](C[5a]S[5a]C)(N[5a]C[5a]H)(O)	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[5a]HH){1|H<1>,1|N<2>}	S[5a](C[5a]C[5a]C)(C[5a]N[5a]N){1|H<1>,1|O<1>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a]H)(O){1|N<2>}	110.2660	0.546	2	110.2660	0.298	2	110.2660	0.298	2	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[3]-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(C[3]C[3]2H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[3])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[3])(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(C[3]C[3]2H){1|Cl<1>,2|C<3>,3|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[3]){2|C<3>,2|C<4>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[3])(H){2|C<3>,2|C<4>,2|H<1>}	114.4160	0.000	1	114.4160	0.000	1	114.4160	0.000	1	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[5]-4:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(C[5]C[5]2Fe)	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]C[5])	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]C[5])(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(C[5]C[5]2Fe){2|C<3>,2|C<4>,2|H<1>}	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]C[5]){1|Fe<10>,1|H<1>,2|C<4>,3|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>}	111.8790	0.000	1	111.8790	0.000	1	111.8790	0.000	1	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Ge-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(GeC[5a]CC)	S[5a](C[5a]C[5a]Ge)2	C[5a](C[5a]S[5a]Ge)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(GeC[5a]CC){1|Ge<4>,1|H<1>}	S[5a](C[5a]C[5a]Ge)2{2|H<1>}	C[5a](C[5a]S[5a]Ge)(C[5a]C[5a]H)(H){1|Ge<4>}	109.1065	0.198	4	109.1065	0.039	4	109.2605	0.082	6	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Ge-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(GeGeCC)	S[5a](C[5a]C[5a]Ge)(C[5a]C[5a]2)	C[5a](C[5a]S[5a]Ge)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(GeGeCC){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]Ge)(C[5a]C[5a]2){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]S[5a]Ge)(C[5a]C[5a]H)(H){1|C<3>}	109.5685	0.071	2	109.5685	0.005	2	109.2605	0.082	6	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:P-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(PC[6]2B)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]S[5a]P)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(PC[6]2B){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P){2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]S[5a]P)(H){3|C<3>}	111.4130	0.313	2	111.4130	0.098	2	111.4130	0.098	2	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:P-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a]Br)(S[5a]C[5a])(PBCC)	S[5a](C[5a]C[5a]H)(C[5a]C[5a]P)	C[5a](C[5a]C[5a]Br)(C[5a]S[5a]P)(Br)	C[5a](C[5a]C[5a]Br)(S[5a]C[5a])(PBCC){1|Br<1>,1|H<1>}	S[5a](C[5a]C[5a]H)(C[5a]C[5a]P){2|Br<1>}	C[5a](C[5a]C[5a]Br)(C[5a]S[5a]P)(Br){1|H<1>}	109.3460	0.000	1	109.3460	0.000	1	109.0820	0.139	2	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:P-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a]Br)(S[5a]C[5a])(PBCC)	S[5a](C[5a]C[5a]H)(C[5a]C[5a]P)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(Br)	C[5a](C[5a]C[5a]Br)(S[5a]C[5a])(PBCC){2|H<1>}	S[5a](C[5a]C[5a]H)(C[5a]C[5a]P){1|Br<1>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(Br){1|H<1>}	108.8180	0.000	1	108.8180	0.000	1	109.0820	0.139	2	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:P-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PCCW)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]P)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PCCW){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]P){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(H){1|C<3>}	110.1983	0.342	3	110.1983	0.117	3	110.9048	1.002	38	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:P-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PCCW)	S[5a](C[5a]C[5a]H)(C[5a]C[5a]P)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PCCW){2|H<1>}	S[5a](C[5a]C[5a]H)(C[5a]C[5a]P){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(H){1|H<1>}	110.0330	0.298	3	110.0330	0.089	3	110.9048	1.002	38	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:P-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PCHO)	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]P)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PCHO){1|H<1>,1|N<3>}	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]P){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(H){1|N<3>}	111.0220	0.000	1	111.0220	0.000	1	110.9048	1.002	38	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:P-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PC[5a]2Cl)	S[5a](C[5a]C[5a]H)(C[5a]C[5a]P)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PC[5a]2Cl){2|H<1>}	S[5a](C[5a]C[5a]H)(C[5a]C[5a]P){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(H){1|H<1>}	112.1707	0.077	3	112.1707	0.006	3	110.9048	1.002	38	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:P-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PC[5a]2O)	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]P)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PC[5a]2O){1|Br<1>,1|H<1>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]P){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(H){1|Br<1>}	110.1723	0.654	3	110.1723	0.428	3	110.9048	1.002	38	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:P-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PC[5a]2W)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]P)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PC[5a]2W){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]P){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(H){1|C<3>}	110.3317	0.560	8	110.3317	0.314	8	110.9048	1.002	38	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:P-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PC[5a]3)	S[5a](C[5a]C[5a]H)(C[5a]C[5a]P)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PC[5a]3){2|H<1>}	S[5a](C[5a]C[5a]H)(C[5a]C[5a]P){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(H){1|H<1>}	112.8287	1.034	4	112.8287	1.069	4	110.9048	1.002	38	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:P-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PC[5a]Ru2)	S[5a](C[5a]C[5a]H)(C[5a]C[5a]P)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PC[5a]Ru2){2|H<1>}	S[5a](C[5a]C[5a]H)(C[5a]C[5a]P){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(H){1|H<1>}	111.4615	0.189	2	111.4615	0.036	2	110.9048	1.002	38	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:P-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PC[6a]2O)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]P)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PC[6a]2O){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]P){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(H){1|C<3>}	110.6340	0.240	2	110.6340	0.058	2	110.9048	1.002	38	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:P-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PC[6a]2S)	S[5a](C[5a]B[5a]C[5a])(C[5a]C[5a]P)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PC[6a]2S){1|B<3>,1|H<1>}	S[5a](C[5a]B[5a]C[5a])(C[5a]C[5a]P){2|H<1>,2|N<3>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(H){1|B<3>}	110.6450	0.000	1	110.6450	0.000	1	110.9048	1.002	38	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:P-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PC[6a]2Se)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]P)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PC[6a]2Se){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]P){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(H){1|C<3>}	110.6480	0.018	2	110.6480	0.000	2	110.9048	1.002	38	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:P-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PO3)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]P)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PO3){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]P){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(H){1|C<3>}	111.3820	0.000	1	111.3820	0.000	1	110.9048	1.002	38	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:P-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PO3)	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]P)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PO3){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]P){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(H){1|C<3>}	111.4850	0.000	1	111.4850	0.000	1	110.9048	1.002	38	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:P-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PPdCO)	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]P)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PPdCO){1|H<1>,1|N<3>}	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]P){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(H){1|N<3>}	110.9040	0.655	2	110.9040	0.429	2	110.9048	1.002	38	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:P-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PPtCO)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]P)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PPtCO){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]P){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(H){1|C<4>}	110.0820	0.000	1	110.0820	0.000	1	110.9048	1.002	38	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:P-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PSeOO)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]P)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PSeOO){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]P){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(H){1|C<3>}	110.7810	0.000	1	110.7810	0.000	1	110.9048	1.002	38	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:S-4:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(SNOO)	S[5a](C[5a,6]C[5a,6]S[6])(C[5a]C[5a]S)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]S)(H)	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(SNOO){1|C<4>,1|S<4>}	S[5a](C[5a,6]C[5a,6]S[6])(C[5a]C[5a]S){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]S)(H){1|C<4>,1|H<1>,1|N<3>,1|S<4>}	113.3220	0.000	1	113.2007	0.043	3	113.2007	0.043	3	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:S-4:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(SNOO)	S[5a](C[5a,6]C[5a,6]S[6])(C[5a]C[5a]S)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]S)(H)	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(SNOO){1|C<4>,1|S<4>}	S[5a](C[5a,6]C[5a,6]S[6])(C[5a]C[5a]S){1|H<1>,2|C<4>,2|O<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]S)(H){1|C<4>,1|H<1>,1|N<3>,1|S<4>}	112.9600	0.000	1	113.2007	0.043	3	113.2007	0.043	3	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:S-4:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(SNOO)	S[5a](C[5a,6]C[5a,6]S[6])(C[5a]C[5a]S)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]S)(H)	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(SNOO){1|C<4>,1|S<4>}	S[5a](C[5a,6]C[5a,6]S[6])(C[5a]C[5a]S){1|H<1>,2|C<4>,2|O<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]S)(H){1|C<4>,1|H<1>,1|N<4>,1|S<4>}	113.3200	0.000	1	113.2007	0.043	3	113.2007	0.043	3	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:S-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(SNOO)	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]S)	C[5a](C[5a]C[5a]Br)(C[5a]S[5a]S)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(SNOO){2|Br<1>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]S){1|Br<1>,1|H<1>}	C[5a](C[5a]C[5a]Br)(C[5a]S[5a]S)(H){1|Br<1>}	118.7200	4.630	2	118.7200	21.438	2	113.9117	12.029	8	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:S-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(SNOO)	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]S)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]S)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(SNOO){1|Br<1>,1|H<1>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]S){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]S)(H){1|Br<1>}	112.2867	0.630	3	112.2867	0.397	3	113.9117	12.029	8	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:S-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(SNOO)	S[5a](C[5a]C[5a]H)(C[5a]C[5a]S)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]S)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(SNOO){2|H<1>}	S[5a](C[5a]C[5a]H)(C[5a]C[5a]S){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]S)(H){1|H<1>}	112.3410	0.559	2	112.3410	0.312	2	113.9117	12.029	8	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:S-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(SO3)	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]S)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]S)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(SO3){1|Br<1>,1|H<1>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]S){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]S)(H){1|Br<1>}	112.3120	0.000	1	112.3120	0.000	1	113.9117	12.029	8	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Si-4:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(SiC3)	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]Si)	C[5a](C[5,5a]C[5,5a]B[5])(C[5a]S[5a]Si)(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(SiC3){1|B<3>,1|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]Si){1|B<3>,1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5,5a]C[5,5a]B[5])(C[5a]S[5a]Si)(H){3|C<3>}	109.3570	0.308	2	109.3570	0.095	2	109.7305	0.475	15	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Si-4:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(SiC3)	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]Si)	C[5a](C[5,5a]C[5,5a]Ga[5,5])(C[5a]S[5a]Si)(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(SiC3){1|Ga<4>,1|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]Si){1|Ga<4>,1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5,5a]C[5,5a]Ga[5,5])(C[5a]S[5a]Si)(H){1|N<4>,3|C<3>}	108.8790	0.383	2	108.8790	0.147	2	109.7305	0.475	15	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Si-4:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(SiC3)	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]Si)	C[5a](C[5,5a]C[5,5a]P[5])(C[5a]S[5a]Si)(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(SiC3){1|C<3>,1|P<4>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]Si){1|C<3>,1|H<1>,1|P<4>,1|S<2>}	C[5a](C[5,5a]C[5,5a]P[5])(C[5a]S[5a]Si)(H){1|Au<2>,3|C<3>}	110.2010	0.489	2	110.1178	0.136	4	109.7305	0.475	15	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Si-4:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(SiC3)	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]Si)	C[5a](C[5,5a]C[5,5a]P[5])(C[5a]S[5a]Si)(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(SiC3){1|C<3>,1|P<4>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]Si){1|C<3>,1|H<1>,1|P<4>,1|S<2>}	C[5a](C[5,5a]C[5,5a]P[5])(C[5a]S[5a]Si)(H){1|O<1>,3|C<3>}	110.0345	0.374	2	110.1178	0.136	4	109.7305	0.475	15	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Si-4:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(SiC3)	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]Si)	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]S[5a]Si)(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(SiC3){1|C<3>,1|S<4>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]Si){1|C<3>,1|H<1>,1|S<2>,1|S<4>}	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]S[5a]Si)(H){2|C<3>,2|O<1>}	110.7790	0.000	1	110.7790	0.000	1	109.7305	0.475	15	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Si-4:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(SiC3)	S[5a](C[5,5a]C[5,5a]C[5,6])(C[5a]C[5a]Si)	C[5a](C[5,5a]C[5,5a]B[5])(C[5a]S[5a]Si)(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(SiC3){1|B<4>,1|C<3>}	S[5a](C[5,5a]C[5,5a]C[5,6])(C[5a]C[5a]Si){1|B<4>,1|C<3>,1|H<1>,1|N<3>}	C[5a](C[5,5a]C[5,5a]B[5])(C[5a]S[5a]Si)(H){1|N<3>,3|C<3>}	109.1240	0.000	1	109.1240	0.000	1	109.7305	0.475	15	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Si-4:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(SiC3)	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]Si)	C[5a](C[5,5a]C[5,5a]2)(C[5a]S[5a]Si)(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(SiC3){2|C<3>}	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]Si){1|H<1>,1|O<1>,2|C<3>}	C[5a](C[5,5a]C[5,5a]2)(C[5a]S[5a]Si)(H){3|C<3>}	110.0565	0.149	2	110.0565	0.022	2	109.7305	0.475	15	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Si-4:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(SiC3)	S[5a](C[5,5a]C[5,5a]Si[5])(C[5a]C[5a]Si)	C[5a](C[5,5a]C[5,5a]2)(C[5a]S[5a]Si)(H)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(SiC3){1|Si<4>,1|C<3>}	S[5a](C[5,5a]C[5,5a]Si[5])(C[5a]C[5a]Si){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[5,5a]C[5,5a]2)(C[5a]S[5a]Si)(H){1|Si<4>,2|C<3>}	109.6660	0.991	3	109.6660	0.981	3	109.7305	0.475	15	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Si-4:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a,5a]Br)(S[5a]C[5a,5a])(SiC3)	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]Si)	C[5a](C[5a,5a]C[5a,5a]2)(C[5a]S[5a]Si)(Br)	C[5a](C[5a]C[5a,5a]Br)(S[5a]C[5a,5a])(SiC3){1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]Si){1|Br<1>,2|C<3>}	C[5a](C[5a,5a]C[5a,5a]2)(C[5a]S[5a]Si)(Br){1|S<2>,2|C<3>}	109.5790	0.264	5	109.5790	0.070	5	109.5790	0.070	5	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Si-4:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(SiC3)	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]Si)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]Si)(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(SiC3){1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]Si){1|C<3>,1|H<1>,2|S<2>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]Si)(H){2|C<3>}	110.3748	0.252	5	110.3979	0.038	8	110.7495	0.347	59	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Si-4:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(SiC3)	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]Si)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]Si)(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(SiC3){1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]Si){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]Si)(H){2|C<3>}	110.4363	0.058	3	110.3979	0.038	8	110.7495	0.347	59	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Si-4:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(SiC3)	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]Si)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]Si)(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(SiC3){1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]Si){1|C<3>,1|H<1>,1|S<2>,1|S<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]Si)(H){2|C<3>}	110.9990	0.000	1	111.0440	0.004	2	110.7495	0.347	59	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Si-4:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(SiC3)	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]Si)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]Si)(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(SiC3){1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]Si){1|C<3>,1|H<1>,2|S<2>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]Si)(H){2|C<3>}	111.0890	0.000	1	111.0440	0.004	2	110.7495	0.347	59	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Si-4:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(SiC3)	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]Si)	C[5a](C[5a,5a]C[5a,5a]2)(C[5a]S[5a]Si)(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(SiC3){1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]Si){1|H<1>,2|C<3>}	C[5a](C[5a,5a]C[5a,5a]2)(C[5a]S[5a]Si)(H){1|C<3>,2|S<2>}	110.4270	0.273	5	110.8147	0.394	47	110.7495	0.347	59	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Si-4:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(SiC3)	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]Si)	C[5a](C[5a,5a]C[5a,5a]2)(C[5a]S[5a]Si)(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(SiC3){1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]Si){1|H<1>,2|C<3>}	C[5a](C[5a,5a]C[5a,5a]2)(C[5a]S[5a]Si)(H){1|S<2>,2|C<3>}	110.8608	0.644	42	110.8147	0.394	47	110.7495	0.347	59	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Si-4:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(SiSi3)	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]Si)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]Si)(H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(SiSi3){1|C<3>,1|S<2>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]Si){1|C<3>,1|H<1>,2|S<2>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]Si)(H){2|C<3>}	110.3315	0.029	2	110.3315	0.001	2	110.7495	0.347	59	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Si-4:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(SiC3)	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]Si)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]Si)(H)	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(SiC3){2|C<3>}	S[5a](C[5a,6]C[5a,6]2)(C[5a]C[5a]Si){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]Si)(H){1|O<1>,2|C<3>}	109.7870	0.008	2	109.7870	0.000	2	109.7870	0.000	2	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Si-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(SiC3)	S[5a](C[5a,6a]C[5a,6a]C[4,6a])(C[5a]C[5a]Si)	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]S[5a]Si)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(SiC3){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[4,6a])(C[5a]C[5a]Si){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]S[5a]Si)(H){3|C<3>}	110.6925	0.070	2	110.6925	0.005	2	110.4752	0.428	10	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Si-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(SiC3)	S[5a](C[5a,6a]C[5a,6a]C[4,6a])(C[5a]C[5a]Si)	C[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a]S[5a]Si)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(SiC3){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[4,6a])(C[5a]C[5a]Si){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a]S[5a]Si)(H){3|C<3>}	111.4940	0.228	2	111.4940	0.052	2	110.4752	0.428	10	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Si-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(SiC3)	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]Si)	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]S[5a]Si)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(SiC3){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]Si){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]S[5a]Si)(H){3|C<3>}	109.9380	0.065	2	109.9380	0.004	2	110.4752	0.428	10	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Si-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(SiC3)	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]Si)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]Si)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(SiC3){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]Si){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]Si)(H){3|C<3>}	109.7530	0.000	1	109.7530	0.000	1	110.4752	0.428	10	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Si-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(SiC3)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Si)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]Si)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(SiC3){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Si){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]Si)(H){3|C<3>}	109.8340	0.000	1	109.8340	0.000	1	110.4752	0.428	10	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Si-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(SiC3)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Si)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]Si)(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(SiC3){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Si){1|B<3>,1|H<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]Si)(H){1|B<3>,2|C<3>}	110.4580	0.331	2	110.4580	0.110	2	110.4752	0.428	10	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Si-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:I-1:	C[5a](C[5a]C[5a,6a]I)(S[5a]C[5a,6a])(SiC3)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Si)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]Si)(I)	C[5a](C[5a]C[5a,6a]I)(S[5a]C[5a,6a])(SiC3){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Si){1|H<1>,1|I<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]Si)(I){1|H<1>,2|C<3>}	110.3000	0.000	1	110.3000	0.000	1	110.3000	0.000	1	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Si-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a]Br)(S[5a]C[5a])(SiC3)	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]S)	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]2)(Br)	C[5a](C[5a]C[5a]Br)(S[5a]C[5a])(SiC3){1|C<3>,1|S<2>}	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]S){1|Br<1>,1|C<3>}	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]2)(Br){1|S<2>,2|C<3>}	107.8068	0.199	10	107.8068	0.040	10	107.6411	0.161	14	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Si-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a]Br)(S[5a]C[5a])(SiC3)	S[5a](C[5a]C[5a]Si)2	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]2)(Br)	C[5a](C[5a]C[5a]Br)(S[5a]C[5a])(SiC3){1|Si<4>,1|C<3>}	S[5a](C[5a]C[5a]Si)2{1|Br<1>,1|C<3>}	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]2)(Br){1|Si<4>,2|C<3>}	106.7995	0.122	2	106.7995	0.015	2	107.6411	0.161	14	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Si-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a]Br)(S[5a]C[5a])(SiC3)	S[5a](C[5a]C[5a]Si)2	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]S)(Br)	C[5a](C[5a]C[5a]Br)(S[5a]C[5a])(SiC3){1|Si<4>,1|S<2>}	S[5a](C[5a]C[5a]Si)2{1|Br<1>,1|S<2>}	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]S)(Br){1|Si<4>}	107.6545	0.149	2	107.6545	0.022	2	107.6411	0.161	14	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Si-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(SiC3)	S[5a](C[5a]C[5a]B[3])(C[5a]C[5a]Si)	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(SiC3){1|B<4>,1|H<1>}	S[5a](C[5a]C[5a]B[3])(C[5a]C[5a]Si){1|B<4>,1|B<5>,1|C<3>,2|H<1>}	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]H)(H){1|B<4>}	107.8130	0.000	1	107.8130	0.000	1	109.0013	0.403	66	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Si-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(SiC3)	S[5a](C[5a]C[5a]B[5])(C[5a]C[5a]Si)	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(SiC3){1|B<3>,1|H<1>}	S[5a](C[5a]C[5a]B[5])(C[5a]C[5a]Si){2|C<3>,2|H<1>}	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]H)(H){1|B<3>}	109.3985	0.008	2	109.3985	0.000	2	109.0013	0.403	66	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Si-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(SiC3)	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]Si)	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(SiC3){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]Si){2|C<3>,2|H<1>}	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]H)(H){1|C<3>}	109.8220	0.303	2	109.8220	0.092	2	109.0013	0.403	66	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Si-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(SiC3)	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]Bi)(C[5a]S[5a]Si)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(SiC3){1|Bi<3>,1|C<3>}	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]2){1|Bi<3>,1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]Bi)(C[5a]S[5a]Si)(H){1|C<3>}	109.2160	1.304	2	109.2160	1.700	2	109.0013	0.403	66	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Si-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(SiC3)	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]Br)(C[5a]S[5a]Si)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(SiC3){1|Br<1>,1|C<3>}	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]2){1|Br<1>,1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]Br)(C[5a]S[5a]Si)(H){1|C<3>}	109.5135	0.009	2	109.5135	0.000	2	109.0013	0.403	66	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Si-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(SiC3)	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]Sn)(C[5a]S[5a]Si)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(SiC3){1|Sn<4>,1|C<3>}	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]2){1|Sn<4>,1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]Sn)(C[5a]S[5a]Si)(H){1|C<3>}	109.4510	0.335	2	109.4510	0.112	2	109.0013	0.403	66	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Si-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(SiC3)	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]2)	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(SiC3){2|C<3>}	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]2){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]2)(H){3|C<3>}	109.0241	0.371	14	109.0241	0.137	14	109.0013	0.403	66	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Si-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(SiC3)	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]2)	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(SiC3){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]2){1|C<3>,1|N<3>,2|H<1>}	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]H)(H){1|C<3>}	108.9665	0.094	2	109.0660	0.034	3	109.0013	0.403	66	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Si-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(SiC3)	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]2)	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(SiC3){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]2){2|C<3>,2|H<1>}	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]H)(H){1|C<3>}	109.2650	0.000	1	109.0660	0.034	3	109.0013	0.403	66	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Si-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(SiC3)	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]Br)(C[5a]S[5a]Si)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(SiC3){1|Br<1>,1|C<3>}	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]C){1|Br<1>,1|H<1>}	C[5a](C[5a]C[5a]Br)(C[5a]S[5a]Si)(H){1|C<3>}	109.6433	0.308	6	109.6433	0.095	6	109.0013	0.403	66	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Si-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(SiC3)	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]Si)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(SiC3){1|C<3>,1|C<4>}	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]Si)(H){1|C<3>,2|C<4>}	108.8430	0.000	1	108.8430	0.000	1	109.0013	0.403	66	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Si-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(SiC3)	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]C)	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(SiC3){1|C<2>,1|C<3>}	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]2)(H){1|C<2>,2|C<3>}	108.9408	0.207	4	108.9408	0.043	4	109.0013	0.403	66	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Si-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(SiC3)	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]C)	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(SiC3){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]C){2|H<1>}	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]H)(H){1|C<3>}	108.8079	0.841	10	108.8079	0.708	10	109.0013	0.403	66	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Si-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(SiC3)	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]H)	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(SiC3){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]2)(H){1|C<3>,1|H<1>,1|S<2>}	109.3560	0.000	1	109.3560	0.000	1	109.0013	0.403	66	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Si-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(SiCCO)	S[5a](C[5a]C[5a]Si)2	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(SiCCO){1|Si<4>,1|H<1>}	S[5a](C[5a]C[5a]Si)2{2|H<1>}	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]H)(H){1|Si<4>}	108.8810	0.062	2	108.8810	0.004	2	109.0013	0.403	66	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Si-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(SiC[6a]2C)	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]Si)	C[5a](C[5a]C[5a]Pt)(C[5a]S[5a]Si)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(SiC[6a]2C){1|Pt<4>,1|C<3>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]Si){1|Pt<4>,1|C<3>,1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]Pt)(C[5a]S[5a]Si)(H){1|C<3>}	109.9880	0.000	1	109.9880	0.000	1	109.0013	0.403	66	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Si-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(SiSi3)	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]2)	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(SiSi3){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]2){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]H)(H){1|C<3>}	108.5455	0.435	2	108.5455	0.189	2	109.0013	0.403	66	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Si-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(SiSiCC)	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]2)	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(SiSiCC){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]2){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]H)(H){1|C<3>}	109.1120	0.000	1	109.1120	0.000	1	109.0013	0.403	66	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Si-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(SiSiCC)	S[5a](C[5a]C[5a]Si)2	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(SiSiCC){1|Si<4>,1|C<4>}	S[5a](C[5a]C[5a]Si)2{1|C<4>,1|H<1>}	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]C)(H){1|Si<4>}	108.4363	0.930	4	108.4363	0.864	4	109.0013	0.403	66	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:S[5a]-2:Si-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(SiSiCC)	S[5a](C[5a]C[5a]Si)2	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(SiSiCC){1|Si<4>,1|H<1>}	S[5a](C[5a]C[5a]Si)2{2|H<1>}	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]H)(H){1|Si<4>}	108.3892	0.341	6	108.3892	0.116	6	109.0013	0.403	66	110.4472	1.656	840	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(CCo2C)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CC)	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(CCo2C){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<2>,1|H<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CC){1|H<1>,2|C<3>}	112.1655	0.064	2	112.1655	0.004	2	111.8500	0.301	3	109.3772	0.983	41	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(CH3)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CN)	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(CH3){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<2>,1|H<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CN){1|H<1>,2|C<3>}	111.2190	0.000	1	111.2190	0.000	1	111.8500	0.301	3	109.3772	0.983	41	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CCCH)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(OC)	C[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CCCH){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(OC){1|H<1>,2|C<3>}	110.9730	0.000	1	110.9730	0.000	1	111.2165	0.119	2	109.3772	0.983	41	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CC[6a]CH)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(OC)	C[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CC[6a]CH){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(OC){1|H<1>,2|C<3>}	111.4600	0.000	1	111.4600	0.000	1	111.2165	0.119	2	109.3772	0.983	41	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]C[5])(S[5a]C[5a])(CH3)	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	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){1|C<4>,2|C<3>}	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){3|C<3>}	C[5a](C[5]C[5,6]C[5])(C[5a]S[5a]C)(N[5a]C[5a]){6|C<3>}	109.0480	0.000	1	109.0480	0.000	1	108.8044	0.073	11	109.3772	0.983	41	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]C[5])(S[5a]C[5a])(CH3)	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	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){3|C<3>}	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){3|C<3>}	C[5a](C[5]C[5,6a]C[5])(C[5a]S[5a]C)(N[5a]C[5a]){1|C<4>,4|C<3>}	108.9950	0.310	2	108.7958	0.118	6	108.8044	0.073	11	109.3772	0.983	41	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]C[5])(S[5a]C[5a])(CH3)	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	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){3|C<3>}	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){3|C<3>}	C[5a](C[5]C[5,6a]C[5])(C[5a]S[5a]C)(N[5a]C[5a]){1|P<4>,4|C<3>}	108.8290	0.286	3	108.7958	0.118	6	108.8044	0.073	11	109.3772	0.983	41	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]C[5])(S[5a]C[5a])(CH3)	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	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){3|C<3>}	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){3|C<3>}	C[5a](C[5]C[5,6a]C[5])(C[5a]S[5a]C)(N[5a]C[5a]){1|S<4>,4|C<3>}	108.2980	0.000	1	108.7958	0.118	6	108.8044	0.073	11	109.3772	0.983	41	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]C[5])(S[5a]C[5a])(CH3)	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	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){1|P<4>,2|C<3>}	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){3|C<3>}	C[5a](C[5]C[5]P[5])(C[5a]S[5a]C)(N[5a]C[5a]){1|O<1>,5|C<3>}	108.8570	0.124	2	108.8137	0.013	3	108.8044	0.073	11	109.3772	0.983	41	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]C[5])(S[5a]C[5a])(CH3)	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	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){1|P<4>,2|C<3>}	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){3|C<3>}	C[5a](C[5]C[5]P[5])(C[5a]S[5a]C)(N[5a]C[5a]){1|S<1>,5|C<3>}	108.7270	0.000	1	108.8137	0.013	3	108.8044	0.073	11	109.3772	0.983	41	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]C[5])(S[5a]C[5a])(CH3)	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	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){1|S<4>,2|C<3>}	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){3|C<3>}	C[5a](C[5]C[5]S[5])(C[5a]S[5a]C)(N[5a]C[5a]){2|O<1>,4|C<3>}	108.5840	0.000	1	108.5840	0.000	1	108.8044	0.073	11	109.3772	0.983	41	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]N[5a])(S[5a]C[5a])(CH3)	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(C[5a]S[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]N[5a])(S[5a]C[5a])(CH3){1|S<2>,2|C<3>}	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|N<2>,2|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]S[5a]C)(N[5a]C[5a]){1|N<2>,3|C<3>}	108.8340	0.000	1	108.7293	0.010	3	108.7293	0.010	3	109.3772	0.983	41	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]N[5a])(S[5a]C[5a])(CH3)	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(C[5a]S[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]N[5a])(S[5a]C[5a])(CH3){1|S<2>,2|C<3>}	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){3|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]S[5a]C)(N[5a]C[5a]){1|N<2>,3|C<3>}	108.6770	0.057	2	108.7293	0.010	3	108.7293	0.010	3	109.3772	0.983	41	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[5a]O)(S[5a]C[5a])(CCCO)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]O)(C[5a]S[5a]C)(OC)	C[5a](C[5a]C[5a]O)(S[5a]C[5a])(CCCO){1|H<1>,1|O<2>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|O<2>}	C[5a](C[5a]C[5a]O)(C[5a]S[5a]C)(OC){1|H<1>}	108.4580	0.000	1	108.4580	0.000	1	109.4202	0.660	8	109.3772	0.983	41	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[5a]O)(S[5a]C[5a])(CC[3x6]2O)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(OC)	C[5a](C[5a]C[5a]O)(S[5a]C[5a])(CC[3x6]2O){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|H<1>,1|O<2>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(OC){1|H<1>}	107.9620	0.000	1	107.9620	0.000	1	109.4202	0.660	8	109.3772	0.983	41	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[5a]O)(S[5a]C[5a])(CHHN)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(OC)	C[5a](C[5a]C[5a]O)(S[5a]C[5a])(CHHN){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|H<1>,1|O<2>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(OC){1|H<1>}	109.8237	0.344	6	109.8237	0.118	6	109.4202	0.660	8	109.3772	0.983	41	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(CC[6a]HH)	S[5a](C[5a]C[5a]C)(C[5a]N[5a]N)	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(CC[6a]HH){1|N<2>,2|C<3>}	S[5a](C[5a]C[5a]C)(C[5a]N[5a]N){1|C<3>}	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	109.3760	0.000	1	109.2580	0.028	2	109.1189	0.202	10	109.3772	0.983	41	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(CC[6a]HH)	S[5a](C[5a]C[5a]C)(C[5a]N[5a]N)	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(CC[6a]HH){1|N<3>,2|C<3>}	S[5a](C[5a]C[5a]C)(C[5a]N[5a]N){1|C<3>}	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	109.1400	0.000	1	109.2580	0.028	2	109.1189	0.202	10	109.3772	0.983	41	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(CH3){1|C<4>,2|C<3>}	S[5a](C[5a]C[5a]C)(C[5a]N[5a]C){1|C<3>}	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	108.9630	0.000	1	108.9630	0.000	1	109.1189	0.202	10	109.3772	0.983	41	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)(C[5a]N[5a]N)	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(CH3){1|N<3>,2|C<3>}	S[5a](C[5a]C[5a]C)(C[5a]N[5a]N){1|C<3>}	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	109.3450	0.000	1	109.3450	0.000	1	109.1189	0.202	10	109.3772	0.983	41	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(CH3)	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(CH3){3|C<3>}	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){3|C<3>}	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|F<1>,4|C<3>}	108.5220	0.297	2	108.7625	0.107	4	109.1189	0.202	10	109.3772	0.983	41	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(CH3)	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(CH3){3|C<3>}	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){3|C<3>}	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,4|C<3>}	109.0030	0.035	2	108.7625	0.107	4	109.1189	0.202	10	109.3772	0.983	41	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(CH3)	S[5a](C[5a]N[5a]N[6])(C[5a]C[5a]C)	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(CH3){1|N<3>,2|C<3>}	S[5a](C[5a]N[5a]N[6])(C[5a]C[5a]C){1|C<3>,2|C<4>}	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	109.2930	0.000	1	109.2930	0.000	1	109.1189	0.202	10	109.3772	0.983	41	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(CN[6]HH)	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(CN[6]HH){3|C<3>}	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){3|C<3>}	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	110.0220	0.000	1	110.0220	0.000	1	109.1189	0.202	10	109.3772	0.983	41	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:S-2:	C[5a](C[5a]N[5a]S)(S[5a]C[5a])(CC[6a]CH)	S[5a](C[5a]C[5a]C)(C[5a]N[5a]O)	C[5a](C[5a]S[5a]C)(N[5a]C[5a]H)(SC)	C[5a](C[5a]N[5a]S)(S[5a]C[5a])(CC[6a]CH){1|H<1>,1|O<1>}	S[5a](C[5a]C[5a]C)(C[5a]N[5a]O){1|H<1>,1|S<2>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a]H)(SC){1|O<1>}	109.7280	0.000	1	109.7280	0.000	1	109.7280	0.000	1	109.3772	0.983	41	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:Si-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[5a]O)(S[5a]C[5a])(SiC3)	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]C)	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]H)(OC)	C[5a](C[5a]C[5a]O)(S[5a]C[5a])(SiC3){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]C){1|H<1>,1|O<2>}	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]H)(OC){1|C<3>}	109.2030	0.000	1	109.2030	0.000	1	109.2030	0.000	1	109.3772	0.983	41	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:Si-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a]S)(S[5a]C[5a])(SiC3)	S[5a](C[5a]C[5a]Si)2	C[5a](C[5a]C[5a]Br)(C[5a]S[5a]Si)(SC[5a])	C[5a](C[5a]C[5a]S)(S[5a]C[5a])(SiC3){1|Br<1>,1|Si<4>}	S[5a](C[5a]C[5a]Si)2{1|Br<1>,1|S<2>}	C[5a](C[5a]C[5a]Br)(C[5a]S[5a]Si)(SC[5a]){1|Si<4>}	108.5990	0.000	1	108.5990	0.000	1	108.9830	0.295	2	109.3772	0.983	41	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:2:	C[5a]-3:S[5a]-2:Si-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a]S)(S[5a]C[5a])(SiC3)	S[5a](C[5a]C[5a]Si)2	C[5a](C[5a]C[5a]Br)(C[5a]S[5a]Si)(SS)	C[5a](C[5a]C[5a]S)(S[5a]C[5a])(SiC3){1|Br<1>,1|Si<4>}	S[5a](C[5a]C[5a]Si)2{1|Br<1>,1|S<2>}	C[5a](C[5a]C[5a]Br)(C[5a]S[5a]Si)(SS){1|Si<4>}	109.3670	0.000	1	109.3670	0.000	1	108.9830	0.295	2	109.3772	0.983	41	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a]C[5a,5a]C[5])(S[5a]C[5a,5a])(CH3)	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]C)	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){1|C<4>,1|S<2>,2|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]C){2|C<3>,2|S<2>}	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>}	112.5870	0.096	2	112.5870	0.009	2	112.5870	0.009	2	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(CCHH)	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]S[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(CCHH){1|N<3>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]C){1|C<4>,3|C<3>}	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]S[5a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	112.7480	0.000	1	112.7480	0.000	1	112.7480	0.000	1	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(CCHN)	S[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]C)	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(CCHN){2|C<3>,2|N<2>}	S[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]C){1|N<2>,2|C<3>}	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]C)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	113.6690	0.000	1	113.6690	0.000	1	113.6690	0.000	1	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6]C)(S[5a]C[5a,6])(CCCH)	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]C)(COO)	C[5a](C[5a]C[5a,6]C)(S[5a]C[5a,6])(CCCH){1|C<2>,1|C<3>}	S[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C){3|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]C)(COO){1|C<2>,1|C<3>,1|H<1>}	111.8010	0.000	1	111.8010	0.000	1	111.8010	0.000	1	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(CCHH)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CC[6a]O)	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(CCHH){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CC[6a]O){1|H<1>,2|C<3>}	112.8920	0.000	1	112.8920	0.000	1	112.9205	0.002	2	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(CCHH)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CHN)	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(CCHH){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CHN){1|H<1>,2|C<3>}	112.9490	0.000	1	112.9490	0.000	1	112.9205	0.002	2	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a]C[5a,6a]C[5])(S[5a]C[5a,6a])(CCCH)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	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){1|C<4>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(C[5]C[5]2){1|H<1>,2|C<4>,2|F<1>,3|C<3>}	112.3130	0.000	1	112.3130	0.000	1	112.0925	0.170	28	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a]C[5a,6a]C[5])(S[5a]C[5a,6a])(CCHH)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	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){1|C<4>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(C[5]C[5]2){1|H<1>,2|C<4>,2|F<1>,3|C<3>}	112.3020	0.426	2	112.3020	0.181	2	112.0925	0.170	28	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a]C[5a,6a]C[5])(S[5a]C[5a,6a])(CCHO)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	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){1|C<4>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(C[5]C[5]2){1|H<1>,2|C<4>,2|F<1>,3|C<3>}	111.9250	0.000	1	111.9250	0.000	1	112.0925	0.170	28	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a]C[5a,6a]C[5])(S[5a]C[5a,6a])(CH3)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	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){1|C<4>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(C[5]C[5]2){1|H<1>,2|C<4>,2|F<1>,3|C<3>}	112.0515	0.456	21	112.0728	0.184	24	112.0925	0.170	28	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a]C[5a,6a]C[5])(S[5a]C[5a,6a])(CH3)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	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){1|C<4>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(C[5]C[5]2){2|C<4>,3|C<3>,3|H<1>}	112.2223	0.037	3	112.0728	0.184	24	112.0925	0.170	28	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5a])(S[5a]C[5a,6a])(CCHH)	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]C[5a])(C[5a]S[5a]C)	C[5a](C[5a]C[5a,6a]C[5a])(S[5a]C[5a,6a])(CCHH){4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]C[5a])(C[5a]S[5a]C){1|C<4>,1|S<2>,5|C<3>}	111.9220	0.000	1	111.9220	0.000	1	112.5012	0.164	5	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5a])(S[5a]C[5a,6a])(CH3)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]S[5a]C)	C[5a](C[5a]C[5a,6a]C[5a])(S[5a]C[5a,6a])(CH3){1|N<2>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]S[5a]C){1|H<1>,1|S<2>,4|C<3>}	112.5150	0.402	2	112.5150	0.161	2	112.5012	0.164	5	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5a])(S[5a]C[5a,6a])(CH3)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(C[5a]S[5a]C)	C[5a](C[5a]C[5a,6a]C[5a])(S[5a]C[5a,6a])(CH3){1|S<2>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(C[5a]S[5a]C){1|H<1>,1|N<2>,4|C<3>}	112.7770	0.089	2	112.7770	0.008	2	112.5012	0.164	5	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(CCHH)	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(CCHH){4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(C[6a]C[6a]2){3|H<1>,4|C<3>}	112.0233	0.209	6	112.0233	0.044	6	112.0233	0.044	6	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5,6]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5,6]C[5a])(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	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){1|C<3>,1|P<4>,2|C<4>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|P<4>}	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>}	111.2070	0.000	1	111.2070	0.000	1	111.2070	0.000	1	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	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){1|C<4>,1|H<1>,2|C<3>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	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>}	110.1960	0.089	2	110.7475	0.410	4	110.1978	2.039	52	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	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){1|C<4>,1|H<1>,2|C<3>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	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>}	111.2990	0.071	2	110.7475	0.410	4	110.1978	2.039	52	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	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){1|C<4>,1|H<1>,2|C<3>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	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>}	110.3870	0.000	1	110.5303	0.458	3	110.1978	2.039	52	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	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){1|C<4>,1|H<1>,2|C<3>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	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>}	109.9370	0.000	1	110.5303	0.458	3	110.1978	2.039	52	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	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){1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	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>}	111.2670	0.000	1	110.5303	0.458	3	110.1978	2.039	52	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	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){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	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>}	110.3320	1.309	6	109.9997	2.883	34	110.1978	2.039	52	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	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){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	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>}	110.2029	0.443	12	109.9997	2.883	34	110.1978	2.039	52	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	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){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	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>}	110.3180	0.000	1	109.9997	2.883	34	110.1978	2.039	52	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	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){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	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>}	110.3410	0.253	4	109.9997	2.883	34	110.1978	2.039	52	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	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){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	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>}	108.7500	3.802	6	109.9997	2.883	34	110.1978	2.039	52	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	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){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	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>}	110.1770	0.443	3	109.9997	2.883	34	110.1978	2.039	52	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	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){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	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>}	110.5510	0.000	1	109.9997	2.883	34	110.1978	2.039	52	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	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){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	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>}	110.2990	0.000	1	109.9997	2.883	34	110.1978	2.039	52	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	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){1|C<3>,1|C<4>,1|H<1>,1|P<4>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	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>}	110.1080	0.082	3	110.1080	0.007	3	110.1978	2.039	52	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	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){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	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>}	110.0220	0.000	1	110.5735	0.608	2	110.1978	2.039	52	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	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){1|H<1>,1|S<4>,2|C<3>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(C[5a]S[5a]C){2|O<1>,4|C<3>}	111.1250	0.000	1	110.5735	0.608	2	110.1978	2.039	52	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	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){1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	C[5a](C[5]Si[5]C[5])(C[5a]C[5a]H)(C[5a]S[5a]C){3|C<3>,3|C<4>}	110.3075	0.391	2	110.3075	0.153	2	110.1978	2.039	52	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	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){1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	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>}	110.9425	0.121	2	110.9425	0.015	2	110.1978	2.039	52	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	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){1|H<1>,1|S<4>,2|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(C[5a]S[5a]C){2|O<1>,4|C<3>}	110.8730	0.822	2	110.8730	0.675	2	110.1978	2.039	52	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:B-3:	C[5a](C[5a]C[5a]B)(S[5a]C[5a])(CC3)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(BC[6a]2)	C[5a](C[5a]C[5a]B)(S[5a]C[5a])(CC3){2|C<4>}	S[5a](C[5a]C[5a]C)2{1|B<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(BC[6a]2){1|C<4>}	110.4710	0.000	1	110.4710	0.000	1	110.6200	0.044	2	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:B-3:	C[5a](C[5a]C[5a]B)(S[5a]C[5a])(CC3)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]Cl)(C[5a]S[5a]C)(BC[6a]2)	C[5a](C[5a]C[5a]B)(S[5a]C[5a])(CC3){1|Cl<1>,1|C<4>}	S[5a](C[5a]C[5a]C)2{1|Cl<1>,1|B<3>}	C[5a](C[5a]C[5a]Cl)(C[5a]S[5a]C)(BC[6a]2){1|C<4>}	110.7690	0.000	1	110.7690	0.000	1	110.6200	0.044	2	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCHH)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]N)(C[5a]S[5a]C)(COO)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCHH){1|C<3>,1|N<3>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|N<3>}	C[5a](C[5a]C[5a]N)(C[5a]S[5a]C)(COO){1|C<3>}	112.5840	0.000	1	112.5840	0.000	1	110.5962	0.406	23	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCHH)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]N[6])(C[5a]S[5a]C)(COO)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCHH){1|C<3>,1|N<3>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|N<3>}	C[5a](C[5a]C[5a]N[6])(C[5a]S[5a]C)(COO){1|C<3>,2|C<4>}	111.5490	0.000	1	111.5490	0.000	1	110.5962	0.406	23	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCC)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3){2|C<4>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCC){1|C<4>}	110.0690	0.359	2	110.0690	0.129	2	110.5962	0.406	23	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCO)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3){1|C<3>,1|C<4>}	S[5a](C[5a]C[5a]C)2{2|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCO){1|C<4>}	110.5257	0.544	10	110.5257	0.295	10	110.5962	0.406	23	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CCO)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CCO){1|C<4>}	110.4958	0.261	6	110.4958	0.068	6	110.5962	0.406	23	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CCS)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CCS){1|C<3>}	110.4030	0.281	3	110.4030	0.079	3	110.5962	0.406	23	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[4]-3:	C[5a](C[5a]C[5a]C[4])(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[4]C[4]2)	C[5a](C[5a]C[5a]C[4])(S[5a]C[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[4]C[4]2){1|C<4>,2|C<3>,2|F<1>}	111.4200	0.000	1	111.4200	0.000	1	111.4200	0.000	1	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CCHH)	S[5a](C[5a]C[5a]C)2	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){1|C<4>,1|H<1>,2|C<3>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	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>}	111.2950	0.363	6	111.2950	0.132	6	110.5925	0.652	116	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CCHH)	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	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){1|C<4>,1|H<1>,2|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	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>}	110.1830	0.170	2	110.1830	0.029	2	110.5925	0.652	116	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	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){1|C<4>,1|H<1>,2|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|H<1>,1|S<2>,2|C<3>}	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>}	110.8450	0.000	1	110.8450	0.000	1	110.5925	0.652	116	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]B)(C[5a]C[5a]C)	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){1|B<3>,1|C<3>,1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]B)(C[5a]C[5a]C){1|C<3>,1|H<1>}	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>}	111.3220	0.000	1	111.3220	0.000	1	110.5925	0.652	116	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	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){1|C<3>,1|C<4>,2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>}	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>}	110.9800	0.000	1	110.9800	0.000	1	110.5925	0.652	116	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	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){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	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>}	109.7820	0.344	2	110.5587	0.883	65	110.5925	0.652	116	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	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){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	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>}	111.2545	0.035	2	110.5587	0.883	65	110.5925	0.652	116	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	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){1|C<3>,1|H<1>,2|C<4>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	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>}	109.8773	0.692	28	110.5587	0.883	65	110.5925	0.652	116	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	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){1|C<3>,1|H<1>,2|C<4>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	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>}	111.0149	0.434	11	110.5587	0.883	65	110.5925	0.652	116	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	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){1|C<3>,1|H<1>,2|C<4>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	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>}	110.3930	0.000	1	110.5587	0.883	65	110.5925	0.652	116	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	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){1|C<4>,1|H<1>,2|C<3>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	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>}	110.7260	0.000	1	110.5587	0.883	65	110.5925	0.652	116	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	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){1|C<4>,1|H<1>,2|C<3>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	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>}	111.2889	0.976	14	110.5587	0.883	65	110.5925	0.652	116	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	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){1|C<4>,1|H<1>,2|C<3>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	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>}	111.2257	0.558	6	110.5587	0.883	65	110.5925	0.652	116	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)	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){1|C<3>,1|H<1>,2|C<4>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C){1|H<1>,1|O<2>,3|C<3>}	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>}	110.5345	0.033	2	110.5345	0.001	2	110.5925	0.652	116	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	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){2|C<3>,2|C<4>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,3|C<3>}	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>}	110.2990	0.000	1	110.2990	0.000	1	110.5925	0.652	116	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	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){1|C<4>,1|H<1>,2|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	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>}	110.5112	0.524	30	110.5112	0.274	30	110.5925	0.652	116	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]Cl)(C[5a]C[5a]C)	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){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]Cl)(C[5a]C[5a]C){1|C<3>,1|H<1>}	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>}	111.3465	0.282	4	111.3465	0.079	4	110.5925	0.652	116	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]Fe)(C[5a]C[5a]C)	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){1|Fe<8>,1|C<3>,1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]Fe)(C[5a]C[5a]C){1|C<3>,1|H<1>}	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>}	109.4295	0.169	2	109.4295	0.029	2	110.5925	0.652	116	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]C)	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){1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]C){1|C<3>,1|H<1>}	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>}	110.1780	0.000	1	110.1780	0.000	1	110.5925	0.652	116	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5a]H)(C[5a]S[5a]C){1|B<4>,1|C<4>,1|S<2>,2|C<3>}	109.8660	0.000	1	109.8660	0.000	1	110.4403	0.184	34	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(C[5a]S[5a]C){1|Pt<4>,1|C<4>,1|S<2>,2|C<3>}	110.6153	0.642	3	110.6153	0.413	3	110.4403	0.184	34	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|N<3>,2|C<3>}	110.4583	0.368	10	110.4007	0.164	22	110.4403	0.184	34	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	110.0392	0.408	6	110.4007	0.164	22	110.4403	0.184	34	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|N<2>,3|C<3>}	110.6840	0.366	2	110.4007	0.164	22	110.4403	0.184	34	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]S[5a]C){1|Ir<6>,1|C<4>,1|N<2>,2|C<3>}	110.6570	0.000	1	110.4007	0.164	22	110.4403	0.184	34	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]S[5a]C){1|N<2>,2|C<3>,2|C<4>}	110.7030	0.000	1	110.4007	0.164	22	110.4403	0.184	34	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]S[5a]C){1|N<3>,2|C<3>,2|C<4>}	110.6350	0.110	2	110.4007	0.164	22	110.4403	0.184	34	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,3|C<3>}	110.3663	0.554	4	110.3663	0.307	4	110.4403	0.184	34	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(CH3){1|C<4>,1|S<2>,2|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(C[5a]S[5a]C){4|C<3>}	110.7050	0.178	2	110.7050	0.032	2	110.4403	0.184	34	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]Cl)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(CH3){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>}	S[5a](C[5a]C[5a]Cl)(C[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]S[5a]C){1|Cl<1>,1|N<3>,2|C<3>}	110.8160	0.000	1	110.7830	0.002	2	110.4403	0.184	34	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]Cl)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(CH3){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	S[5a](C[5a]C[5a]Cl)(C[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]S[5a]C){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	110.7500	0.000	1	110.7830	0.002	2	110.4403	0.184	34	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6]-3:	C[5a](C[5a]C[5a]C[6])(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6]C[6]2)	C[5a](C[5a]C[5a]C[6])(S[5a]C[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6]C[6]2){1|C<4>,1|O<1>,3|C<3>}	110.1750	0.197	2	110.8608	0.319	6	110.8608	0.319	6	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6]-3:	C[5a](C[5a]C[5a]C[6])(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6]C[6]2)	C[5a](C[5a]C[5a]C[6])(S[5a]C[5a])(CH3){1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6]C[6]2){1|O<1>,4|C<3>}	111.2037	0.221	4	110.8608	0.319	6	110.8608	0.319	6	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CCCH)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CCCH){1|C<2>,1|N<3>,2|C<3>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<2>,1|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>}	111.8000	0.293	2	111.8000	0.086	2	110.9983	0.330	14	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CCHN)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CCHN){2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6a]C[6a]2){1|C<4>,2|C<3>,2|H<1>}	110.8450	0.000	1	111.4253	0.267	3	110.9983	0.330	14	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CCHN)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CCHN){2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6a]C[6a]2){2|H<1>,3|C<3>}	111.7155	0.172	2	111.4253	0.267	3	110.9983	0.330	14	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6a]C[6a]2){1|C<4>,1|H<1>,3|C<3>}	110.2970	0.246	2	110.2970	0.061	2	110.9983	0.330	14	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CH3){1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6a]C[6a]2){1|C<2>,1|H<1>,3|C<3>}	110.7530	0.000	1	110.7622	0.104	5	110.9983	0.330	14	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CH3){1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6a]C[6a]2){1|F<1>,4|C<3>}	110.4845	0.025	2	110.7622	0.104	5	110.9983	0.330	14	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CH3){1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6a]C[6a]2){1|H<1>,4|C<3>}	111.0445	0.317	2	110.7622	0.104	5	110.9983	0.330	14	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S)(C[5a]S[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CH3){1|S<2>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|S<2>,3|C<3>}	C[5a](C[5a]C[5a]S)(C[5a]S[5a]C)(C[6a]C[6a]2){2|H<1>,3|C<3>}	110.8475	0.238	2	110.8475	0.057	2	110.9983	0.330	14	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(S[5a]C[5a])(CCHH)	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(NCH)	C[5a](C[5a]C[5a]N)(S[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(NCH){1|C<3>}	110.9840	0.000	1	110.9840	0.000	1	109.9727	0.772	3	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(S[5a]C[5a])(CC[6a]CH)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(NCH)	C[5a](C[5a]C[5a]N)(S[5a]C[5a])(CC[6a]CH){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(NCH){1|H<1>}	109.4670	0.103	2	109.4670	0.011	2	109.9727	0.772	3	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[6a]C[6,6a]C[6a])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CH3){2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[6a]C[6,6a]C[6a])(C[5a]C[5a]H)(C[5a]S[5a]C){1|H<1>,4|C<3>}	111.5773	1.234	6	111.5773	1.524	6	110.9590	1.022	16	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,4|C<3>}	110.4877	0.176	3	110.8510	0.549	4	110.9590	1.022	16	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CH3){1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(C[5a]S[5a]C){5|C<3>}	111.9410	0.000	1	110.8510	0.549	4	110.9590	1.022	16	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|N<3>,2|C<3>}	110.0910	0.000	1	109.7330	0.256	2	110.9590	1.022	16	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	109.3750	0.000	1	109.7330	0.256	2	110.9590	1.022	16	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CH3){1|C<4>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,3|C<3>}	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[5a]S[5a]C){1|N<2>,4|C<3>}	110.4930	0.004	2	110.4930	0.000	2	110.9590	1.022	16	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CH3){1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(C[5a]S[5a]C){5|C<3>}	111.0120	0.164	2	111.0120	0.027	2	110.9590	1.022	16	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:P[5]-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:P[5]-3:	C[5a](C[5a]C[5a,6a]P[5])(S[5a]C[5a,6a])(P[5]C[5]2O)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]P[5])(P[5]C[5]2)	C[5a](C[5a]C[5a,6a]P[5])(S[5a]C[5a,6a])(P[5]C[5]2O){2|C<3>,2|H<1>,6|C<4>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P[5]){1|H<1>,1|O<1>,1|P<3>,2|C<3>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]P[5])(P[5]C[5]2){1|O<1>,2|C<3>,3|H<1>,6|C<4>}	113.0720	0.000	1	113.0720	0.000	1	113.0720	0.000	1	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:Si-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(SiC3)	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]Si)	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){1|C<4>,1|H<1>,2|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]Si){1|H<1>,3|C<3>}	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>}	108.9470	0.123	2	108.9470	0.015	2	108.9470	0.015	2	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:Si-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(SiC3)	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]2)	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]2)2	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(SiC3){4|C<3>}	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]2){1|S<2>,3|C<3>}	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]2)2{1|Si<4>,1|S<2>,5|C<3>}	109.4712	0.503	6	109.4712	0.253	6	109.2444	0.197	20	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:Si-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(SiC3)	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]H)	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]2)2	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(SiC3){1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]H){2|C<3>}	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]2)2{1|S<2>,2|H<1>,4|C<3>}	109.5735	0.302	2	109.2494	0.170	8	109.2444	0.197	20	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:Si-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(SiC3)	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]H)	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]2)2	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(SiC3){1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]H){2|C<3>}	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]2)2{1|Si<4>,1|H<1>,1|S<2>,4|C<3>}	109.1413	0.405	6	109.2494	0.170	8	109.2444	0.197	20	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:Si-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(SiC3)	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]I)	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]2)2	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(SiC3){1|I<1>,3|C<3>}	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]I){2|C<3>}	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]2)2{1|Si<4>,1|I<1>,1|S<2>,4|C<3>}	109.0343	0.431	4	109.0343	0.185	4	109.2444	0.197	20	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:S[5a]-2:Si-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(SiC3)	S[5a](C[5a]C[5a]Si)2	C[5a](C[5a]C[5a]Br)(C[5a]S[5a]Si)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(SiC3){1|Br<1>,1|Si<4>,2|C<3>}	S[5a](C[5a]C[5a]Si)2{1|Br<1>,1|C<3>}	C[5a](C[5a]C[5a]Br)(C[5a]S[5a]Si)(C[5a]C[5a]2){1|Br<1>,2|Si<4>,1|C<3>,1|S<2>}	108.9640	0.294	2	108.9640	0.087	2	109.2444	0.197	20	110.6952	1.233	337	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-4:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5,5a]C)(S[5a]C[5,5a])(CH3)	S[5a](C[5,5a]C[5,5a]S[5])(C[5a]C[5a]C)	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]S[5a]C)(CCHH)	C[5a](C[5a]C[5,5a]C)(S[5a]C[5,5a])(CH3){2|S<2>}	S[5a](C[5,5a]C[5,5a]S[5])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|S<2>}	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]S[5a]C)(CCHH){1|C<3>,1|S<2>}	112.5850	0.000	1	112.5850	0.000	1	112.9290	0.237	2	111.4040	1.537	95	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-4:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5,5a]C)(S[5a]C[5,5a])(CH3)	S[5a](C[5,5a]C[5,5a]S[5])(C[5a]C[5a]C)	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]S[5a]C)(CH3)	C[5a](C[5a]C[5,5a]C)(S[5a]C[5,5a])(CH3){2|S<2>}	S[5a](C[5,5a]C[5,5a]S[5])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|S<2>}	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]S[5a]C)(CH3){1|C<3>,1|S<2>}	113.2730	0.000	1	113.2730	0.000	1	112.9290	0.237	2	111.4040	1.537	95	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-4:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,5a]C)(S[5a]C[5a,5a])(CCCH)	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]C)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(CCCH)	C[5a](C[5a]C[5a,5a]C)(S[5a]C[5a,5a])(CCCH){2|S<2>}	S[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|S<2>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(CCCH){1|C<3>,1|S<2>}	112.6990	0.000	1	112.6990	0.000	1	112.6990	0.000	1	111.4040	1.537	95	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-4:	C[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a,5a]C)(S[5a]C[5a,5a])(CCHN)	S[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]C)	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)(CH3)	C[5a](C[5a]N[5a,5a]C)(S[5a]C[5a,5a])(CCHN){1|C<3>,1|N<2>}	S[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]C){1|C<4>,2|C<3>}	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)(CH3){1|C<3>,1|H<1>,1|N<2>}	114.1560	0.000	1	114.1560	0.000	1	114.1560	0.000	1	111.4040	1.537	95	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(CCHH)	S[5a](C[5a,6a]C[5a,6a]N[6a,6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CCHH)	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(CCHH){1|C<3>,1|N<3>}	S[5a](C[5a,6a]C[5a,6a]N[6a,6a])(C[5a]C[5a]C){1|C<4>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CCHH){1|O<1>,2|N<3>}	112.8640	0.000	1	112.8640	0.000	1	112.7820	0.276	9	111.4040	1.537	95	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(CH3)	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]C)(CH3)	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(CH3){1|C<3>,1|N<2>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C){1|C<4>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]C)(CH3){1|C<3>,2|N<2>}	113.3450	0.385	3	113.3450	0.148	3	112.7820	0.276	9	111.4040	1.537	95	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(CH3)	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CCHH)	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(CH3){1|C<3>,1|N<2>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C){1|C<4>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CCHH){1|N<2>,1|N<3>,1|O<1>}	112.4695	0.250	2	112.5417	0.047	3	112.7820	0.276	9	111.4040	1.537	95	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(CH3)	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CCHH)	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(CH3){1|C<3>,1|N<2>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C){1|C<4>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CCHH){1|N<2>,1|O<1>,1|O<2>}	112.6860	0.000	1	112.5417	0.047	3	112.7820	0.276	9	111.4040	1.537	95	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(CH3)	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CH3)	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(CH3){1|C<3>,1|N<2>}	S[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C){1|C<4>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CH3){1|N<2>,1|N<3>,1|O<1>}	112.2570	0.366	2	112.2570	0.134	2	112.7820	0.276	9	111.4040	1.537	95	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a,6a]P)(S[5a]C[5a,6a])(CC[5a]IrO)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(PIrCC)	C[5a](C[5a]C[5a,6a]P)(S[5a]C[5a,6a])(CC[5a]IrO){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|P<4>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(PIrCC){1|H<1>,2|C<3>}	112.5065	0.657	12	112.5065	0.432	12	112.5065	0.432	12	111.4040	1.537	95	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]S)(S[5a]C[5a,6a])(CH3)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(SCOO)	C[5a](C[5a]C[5a,6a]S)(S[5a]C[5a,6a])(CH3){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|S<4>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(SCOO){1|H<1>,2|C<3>}	110.9710	0.000	1	110.9710	0.000	1	110.9710	0.000	1	111.4040	1.537	95	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CC3)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]B)(C[5a]S[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CC3){1|B<3>,1|C<4>}	S[5a](C[5a]C[5a]C)2{1|B<3>,1|C<4>}	C[5a](C[5a]C[5a]B)(C[5a]S[5a]C)(CH3){1|C<4>}	110.0270	0.000	1	110.0270	0.000	1	111.3919	0.694	34	111.4040	1.537	95	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCCH)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]S)	C[5a](C[5a]C[5a]S)(C[5a]S[5a]C)(CCCH)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCCH){2|S<2>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]S){1|C<4>,1|S<2>}	C[5a](C[5a]C[5a]S)(C[5a]S[5a]C)(CCCH){1|S<2>}	112.1877	0.106	4	112.1877	0.011	4	111.3919	0.694	34	111.4040	1.537	95	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCHH)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCHH){1|C<2>,1|N<2>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<2>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH){1|N<2>}	112.1320	0.016	2	112.0547	0.050	4	111.3919	0.694	34	111.4040	1.537	95	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCHH)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCHH){1|C<2>,1|N<3>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<2>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH){1|N<3>}	111.7270	0.000	1	112.0547	0.050	4	111.3919	0.694	34	111.4040	1.537	95	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCHH)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCHH){1|C<3>,1|N<3>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH){1|N<3>}	112.2280	0.000	1	112.0547	0.050	4	111.3919	0.694	34	111.4040	1.537	95	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCHN)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCHN){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CH3){1|H<1>}	111.4500	0.321	2	111.4500	0.103	2	111.3919	0.694	34	111.4040	1.537	95	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3){1|C<2>,1|N<2>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<2>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH){1|N<2>}	111.7560	0.000	1	111.7560	0.000	1	111.3919	0.694	34	111.4040	1.537	95	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3){1|C<3>,1|N<2>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3){1|N<2>}	111.8870	0.000	1	112.2202	0.177	4	111.3919	0.694	34	111.4040	1.537	95	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3){1|C<3>,1|N<3>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3){1|N<3>}	112.3313	0.437	3	112.2202	0.177	4	111.3919	0.694	34	111.4040	1.537	95	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]S)	C[5a](C[5a]C[5a]S)(C[5a]S[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3){2|S<2>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]S){1|C<4>,1|S<2>}	C[5a](C[5a]C[5a]S)(C[5a]S[5a]C)(CCHH){1|S<2>}	111.8257	0.756	3	111.8257	0.572	3	111.3919	0.694	34	111.4040	1.537	95	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3){2|C<4>}	S[5a](C[5a]C[5a]C)2{2|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH){1|C<4>}	111.1740	0.074	2	111.1740	0.005	2	111.3919	0.694	34	111.4040	1.537	95	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CC[5a]HH)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3){2|C<4>}	S[5a](C[5a]C[5a]C)2{2|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CC[5a]HH){1|C<4>}	110.7980	0.000	1	110.7980	0.000	1	111.3919	0.694	34	111.4040	1.537	95	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CC[6]HH)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3){2|C<4>}	S[5a](C[5a]C[5a]C)2{2|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CC[6]HH){1|C<4>}	110.3125	0.286	2	110.3125	0.082	2	111.3919	0.694	34	111.4040	1.537	95	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CClHH)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3){2|C<4>}	S[5a](C[5a]C[5a]C)2{2|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CClHH){1|C<4>}	110.3080	0.000	1	110.3080	0.000	1	111.3919	0.694	34	111.4040	1.537	95	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3){1|C<2>,1|C<3>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3){1|C<2>}	111.7060	0.000	1	111.4437	0.063	3	111.3919	0.694	34	111.4040	1.537	95	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3){1|C<3>,1|C<4>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3){1|C<4>}	111.3125	0.148	2	111.4437	0.063	3	111.3919	0.694	34	111.4040	1.537	95	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CHHO)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3){2|C<4>}	S[5a](C[5a]C[5a]C)2{2|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CHHO){1|C<4>}	110.1123	0.371	4	110.1123	0.138	4	111.3919	0.694	34	111.4040	1.537	95	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CH3){2|C<3>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(CH3){3|C<3>}	110.9590	0.000	1	110.9590	0.000	1	111.3919	0.694	34	111.4040	1.537	95	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CHHS)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CHHS){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C)2{1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CH3){1|C<4>}	111.4960	0.000	1	111.4960	0.000	1	111.3919	0.694	34	111.4040	1.537	95	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5]-4:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CHHO)	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2H)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CHHO){2|C<4>,3|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2H){1|C<3>,1|C<4>,1|O<2>,1|S<2>,3|H<1>}	111.7065	0.145	2	111.7065	0.021	2	111.7065	0.021	2	111.4040	1.537	95	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a]P)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5,6]C[5a])(C[5a]S[5a]C)(PC[6a]2Rh)	C[5a](C[5a]C[5a]P)(S[5a]C[5a])(CH3){1|C<3>,1|C<4>}	S[5a](C[5a]C[5a]C)2{1|C<3>,1|P<4>}	C[5a](C[5a]C[5,6]C[5a])(C[5a]S[5a]C)(PC[6a]2Rh){1|C<3>,2|C<4>}	110.9870	0.000	1	110.9870	0.000	1	110.4426	0.196	23	111.4040	1.537	95	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a]P)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]P)(C[5a]S[5a]C)(PC[6a]2Cu)	C[5a](C[5a]C[5a]P)(S[5a]C[5a])(CH3){1|C<4>,1|P<4>}	S[5a](C[5a]C[5a]C)2{2|P<4>}	C[5a](C[5a]C[5a]P)(C[5a]S[5a]C)(PC[6a]2Cu){1|C<4>}	110.4179	0.437	22	110.4179	0.191	22	110.4426	0.196	23	111.4040	1.537	95	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:C[3]-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:B-4:	C[5a](C[5a]C[5a,6a]B)(S[5a]C[5a,6a])(C[3]C[3]2H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[3])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[3])(BC[6a]3)	C[5a](C[5a]C[5a,6a]B)(S[5a]C[5a,6a])(C[3]C[3]2H){2|C<3>,4|H<1>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[3]){1|B<4>,2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[3])(BC[6a]3){2|C<3>,2|C<4>,2|H<1>}	114.1410	0.000	1	114.1410	0.000	1	114.1410	0.000	1	111.4040	1.537	95	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:S-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]S)(S[5a]C[5a,6a])(SCOO)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]S)(SCOO)	C[5a](C[5a]C[5a,6a]S)(S[5a]C[5a,6a])(SCOO){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S){1|H<1>,1|S<4>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]S)(SCOO){1|H<1>,2|C<3>}	113.1350	0.000	1	113.1350	0.000	1	113.1350	0.000	1	111.4040	1.537	95	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:Si-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(SiC3)	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]Bi)(C[5a]S[5a]Si)(CH3)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(SiC3){1|Bi<3>,1|C<3>}	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]2){1|Bi<3>,1|C<3>,1|C<4>,1|S<2>}	C[5a](C[5a]C[5a]Bi)(C[5a]S[5a]Si)(CH3){1|C<3>}	109.8945	0.131	2	109.8945	0.017	2	109.5486	0.690	8	111.4040	1.537	95	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:Si-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(SiC3)	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]2)	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(SiC3){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]2){1|C<4>,1|H<1>,1|N<2>,1|S<2>}	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]H)(CCHH){1|C<3>}	110.4555	0.230	2	110.4555	0.053	2	109.5486	0.690	8	111.4040	1.537	95	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:S[5a]-2:Si-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(SiSiCC)	S[5a](C[5a]C[5a]Si)2	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(SiSiCC){1|Si<4>,1|H<1>}	S[5a](C[5a]C[5a]Si)2{1|C<4>,1|H<1>}	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]H)(CH3){1|Si<4>}	108.9223	0.660	4	108.9223	0.436	4	109.5486	0.690	8	111.4040	1.537	95	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	4:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[6]-4:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[6])(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	C[5a](C[6]C[6,6a]C[5a]C[6])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[6])(S[5a]C[5a])(CH3){1|C<4>,1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C)2{1|C<4>,1|H<1>}	C[5a](C[6]C[6,6a]C[5a]C[6])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|O<1>,5|C<3>}	110.2665	0.043	2	110.2665	0.002	2	110.3243	0.040	6	110.3683	0.047	7	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	4:3:3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:	C[6]-4:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[6])(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]C)2	C[5a](C[6]C[6,6a]C[6]O)(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[6])(S[5a]C[5a])(CH3){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	S[5a](C[5a]C[5a]C)2{1|C<4>,1|H<1>}	C[5a](C[6]C[6,6a]C[6]O)(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|O<2>,4|C<3>}	110.3533	0.250	4	110.3533	0.062	4	110.3243	0.040	6	110.3683	0.047	7	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:2:4:	3:3:	4:3:3:	C[5a]-3:S[5a]-2:Si-4:	C[5a]-3:C[5a]-3:	B[5,5]-4:C[5a]-3:C[5a]-3:	C[5a](C[5a]B[5,5]C[5a])(S[5a]C[5a])(SiC[6a]2O)	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]H)	C[5a](B[5,5]N[5,5]O[5]2)(C[5a]S[5a]Si)(C[5a]C[5a]H)	C[5a](C[5a]B[5,5]C[5a])(S[5a]C[5a])(SiC[6a]2O){1|N<4>,2|H<1>,2|O<2>}	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]H){1|B<4>,1|H<1>}	C[5a](B[5,5]N[5,5]O[5]2)(C[5a]S[5a]Si)(C[5a]C[5a]H){1|H<1>,5|C<4>}	110.6320	0.000	1	110.6320	0.000	1	110.6320	0.000	1	110.3683	0.047	7	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:2:	3:2:4:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a,5a]N[5a])(C[5a]N[5a]C)(S[5a]N[5a])	S[5a](C[5a]C[5a]2)(N[5a]N[5a])	C[5a](C[5a]C[5a]S[5a])(N[5a]N[5a])(CH3)	C[5a](C[5a]N[5a,5a]N[5a])(C[5a]N[5a]C)(S[5a]N[5a]){1|C<3>,2|N<2>}	S[5a](C[5a]C[5a]2)(N[5a]N[5a]){1|C<4>,1|N<2>,1|N<3>}	C[5a](C[5a]C[5a]S[5a])(N[5a]N[5a])(CH3){1|N<2>,1|N<3>}	107.9000	0.000	1	107.9000	0.000	1	107.9000	0.000	1	107.9000	0.000	1	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:2:	3:3:1:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:Cl-1:	C[5a](C[5]C[5]S[5])(C[5a]C[5a]Cl)(S[5a]N[5a])	S[5a](C[5a]C[5a]C[5])(N[5a]C[5a])	C[5a](C[5a]S[5a]C[5])(C[5a]N[5a]Cl)(Cl)	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>}	S[5a](C[5a]C[5a]C[5])(N[5a]C[5a]){2|Cl<1>,1|C<3>,1|S<2>}	C[5a](C[5a]S[5a]C[5])(C[5a]N[5a]Cl)(Cl){1|C<3>,1|S<2>}	107.2820	1.311	2	107.2820	1.719	2	107.2820	1.719	2	108.0157	1.135	6	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:2:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:Cl-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]Cl)(S[5a]N[5a])	S[5a](C[5a]C[5a]2)(N[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]Cl)(Cl)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]Cl)(S[5a]N[5a]){1|Cl<1>,1|C<3>,1|H<1>,1|S<2>}	S[5a](C[5a]C[5a]2)(N[5a]C[5a]){2|Cl<1>,1|C<3>,1|N<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]Cl)(Cl){1|C<3>,1|N<2>}	107.6470	0.047	2	107.6470	0.002	2	107.6470	0.002	2	108.0157	1.135	6	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:2:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]O[5a])(C[5a]C[5a]H)(S[5a]N[5a])	S[5a](C[5a]C[5a]2)(N[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a]O[5a])(C[5a]C[5a]H)(S[5a]N[5a]){1|S<2>,2|C<3>}	S[5a](C[5a]C[5a]2)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[6a]N[5a])(H){1|N<2>,1|O<2>,2|C<3>}	109.1180	0.420	2	109.1180	0.176	2	109.1180	0.176	2	108.0157	1.135	6	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:2:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S[5a])(S[5a]N[5a])	S[5a](C[5a]C[5a]2)(N[5a]C[5a])	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S[5a])(S[5a]N[5a])	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S[5a])(S[5a]N[5a]){1|H<1>,1|N<2>,4|C<3>}	S[5a](C[5a]C[5a]2)(N[5a]C[5a]){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S[5a])(S[5a]N[5a]){1|H<1>,1|N<2>,4|C<3>}	120.7140	0.000	1	120.7140	0.000	1	120.7140	0.000	1	113.6075	101.005	2	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:2:	3:3:2:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(S[5a]N[5a])	S[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]S[5a])(SS)	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(S[5a]N[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]){1|S<2>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]S[5a])(SS){4|C<3>}	106.5010	0.000	1	106.5010	0.000	1	106.5010	0.000	1	113.6075	101.005	2	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S[5a])(S[5a]N[5a])	S[5a](C[5a]C[5a]2)(N[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S[5a])(S[5a]N[5a]){1|H<1>,1|N<2>,4|C<3>}	S[5a](C[5a]C[5a]2)(N[5a]C[5a]){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|S<2>,2|H<1>,3|C<3>}	109.5490	0.000	1	109.5490	0.000	1	109.5490	0.000	1	108.1550	1.585	3	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(S[5a]N[5a])	S[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]S[5a])(COO)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(S[5a]N[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]){4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]S[5a])(COO){4|C<3>}	107.4580	0.505	2	107.4580	0.255	2	107.4580	0.255	2	108.1550	1.585	3	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:2:1:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5]C[5]S[5])(C[5a]S[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]S[5a]O)	C[5a](C[5a]S[5a]C[5])(S[5a]C[5a])(H)	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>}	S[5a](C[5a]C[5a]C[5])(C[5a]S[5a]O){1|C<3>,1|H<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>}	116.3955	0.206	2	116.3955	0.042	2	116.3955	0.042	2	111.1351	14.827	38	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:2:1:	C[5a]-3:C[5]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:O-1:	C[5a](C[5a]S[5a]O)(C[5]Se[5]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C[5])	C[5a](C[5a]S[5a]C[5])(S[5a]C[5a])(O)	C[5a](C[5a]S[5a]O)(C[5]Se[5]2)(S[5a]C[5a]){3|C<3>}	S[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C[5]){2|Se<2>,1|O<1>,2|S<2>}	C[5a](C[5a]S[5a]C[5])(S[5a]C[5a])(O){2|Se<2>,1|C<3>}	117.4070	1.283	2	117.3402	0.388	6	117.3402	0.388	6	111.1351	14.827	38	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:2:1:	C[5a]-3:C[5]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:O-1:	C[5a](C[5a]S[5a]O)(C[5]Se[5]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C[5])	C[5a](C[5a]S[5a]C[5])(S[5a]C[5a])(O)	C[5a](C[5a]S[5a]O)(C[5]Se[5]2)(S[5a]C[5a]){3|C<3>}	S[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C[5]){4|Se<2>,1|O<1>}	C[5a](C[5a]S[5a]C[5])(S[5a]C[5a])(O){2|Se<2>,1|C<3>}	117.3067	0.307	4	117.3402	0.388	6	117.3402	0.388	6	111.1351	14.827	38	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:2:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:Br-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]Br)(S[5a]C[5a])	S[5a](C[5a]N[5a]Si)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a])(Br)	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]Br)(S[5a]C[5a]){1|Br<1>,1|Si<4>,1|C<3>,1|N<2>}	S[5a](C[5a]N[5a]Si)(C[5a]C[5a]2){1|Br<1>,1|C<3>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a])(Br){1|Si<4>,1|C<3>,1|S<2>}	106.4750	0.000	1	106.4750	0.000	1	106.4750	0.000	1	111.1351	14.827	38	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:2:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]N[5a]N)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]H)(S[5a]C[5a]){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	S[5a](C[5a]C[5a]2)(C[5a]N[5a]N){1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a])(H){1|C<3>,1|N<3>,1|S<2>}	110.3315	0.026	2	110.3315	0.001	2	109.7447	0.299	7	111.1351	14.827	38	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:2:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]H)(S[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a])(H){1|S<2>,2|C<3>}	109.2080	0.427	2	109.2080	0.182	2	109.7447	0.299	7	111.1351	14.827	38	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:2:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]S[5a])(C[5a]N[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]S[5a])(C[5a]N[5a]H)(S[5a]C[5a]){3|C<3>}	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a])(H){1|C<3>,1|N<2>,1|S<2>}	109.7113	0.416	3	109.7113	0.173	3	109.7447	0.299	7	111.1351	14.827	38	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:2:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]S[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]S[5a]O)	C[5a](C[5a]C[5a]S[5a])(S[5a]C[5a])(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]S[5a]H)(S[5a]C[5a]){1|C<3>,1|H<1>,1|O<1>,1|S<2>}	S[5a](C[5a]C[5a]2)(C[5a]S[5a]O){1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(S[5a]C[5a])(H){1|C<3>,1|O<1>,1|S<2>}	109.1190	0.000	1	109.1190	0.000	1	109.1190	0.000	1	111.1351	14.827	38	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:2:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a]){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(H){3|C<3>}	108.5745	0.407	4	108.5745	0.166	4	108.3893	0.280	13	111.1351	14.827	38	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:2:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(H){3|C<3>}	108.3046	0.616	8	108.3046	0.380	8	108.3893	0.280	13	111.1351	14.827	38	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:2:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|H<1>,2|C<3>,2|F<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H){1|H<1>,2|C<3>}	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(H){1|H<1>,2|C<3>}	108.3260	0.000	1	108.3260	0.000	1	108.3893	0.280	13	111.1351	14.827	38	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:2:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]O)	C[5a](C[5a]C[6a]S[5a])(S[5a]C[5a])(H)	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|O<1>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]O){1|H<1>,2|C<3>}	C[5a](C[5a]C[6a]S[5a])(S[5a]C[5a])(H){1|O<1>,2|C<3>}	115.6440	0.000	1	115.6440	0.000	1	115.6440	0.000	1	111.1351	14.827	38	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:2:1:	C[5a]-3:P-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)(PC[5a]C[6a])(S[5a]C[5a])	S[5a](C[5a]C[5a]P)(C[5a]N[5a]N)	C[5a](C[5a]S[5a]P)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(PC[5a]C[6a])(S[5a]C[5a]){1|N<3>}	S[5a](C[5a]C[5a]P)(C[5a]N[5a]N){1|H<1>}	C[5a](C[5a]S[5a]P)(N[5a]C[5a])(H){1|N<3>}	108.0275	0.255	2	108.0275	0.065	2	108.0275	0.065	2	111.1351	14.827	38	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:2:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(H)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(S[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H){1|H<1>,2|C<3>}	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(H){1|H<1>,2|C<3>}	109.2833	0.404	3	109.2833	0.163	3	109.2833	0.163	3	111.1351	14.827	38	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:2:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]S[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]O)	C[5a](C[5a]C[6a]S[5a])(S[5a]C[5a])(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]S[5a]H)(S[5a]C[5a]){1|C<3>,1|N<3>,2|O<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]O){1|C<3>,1|H<1>,1|N<2>}	C[5a](C[5a]C[6a]S[5a])(S[5a]C[5a])(H){1|C<3>,1|N<2>,1|O<1>}	116.8520	0.000	1	116.9425	0.016	2	116.9425	0.016	2	111.1351	14.827	38	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:2:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]S[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]O)	C[5a](C[5a]C[6a]S[5a])(S[5a]C[5a])(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]S[5a]H)(S[5a]C[5a]){1|H<1>,1|O<1>,2|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]O){1|C<3>,1|H<1>,1|N<2>}	C[5a](C[5a]C[6a]S[5a])(S[5a]C[5a])(H){1|C<3>,1|N<2>,1|O<1>}	117.0330	0.000	1	116.9425	0.016	2	116.9425	0.016	2	111.1351	14.827	38	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:2:2:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:O-2:	C[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(OC)	C[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|N<2>,1|O<2>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(OC){3|C<3>}	107.5005	0.115	2	107.5005	0.013	2	107.5005	0.013	2	107.2080	0.110	5	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:2:2:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:O-2:	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(OC)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(S[5a]C[5a]){1|H<1>,1|N<2>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|N<2>,1|O<2>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(OC){3|C<3>}	107.1670	0.004	2	107.1670	0.000	2	107.0130	0.071	3	107.2080	0.110	5	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:2:2:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:O-2:	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(OC)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(S[5a]C[5a]){1|H<1>,1|N<2>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6]){1|N<2>,1|O<2>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(OC){3|C<3>}	106.7050	0.000	1	106.7050	0.000	1	107.0130	0.071	3	107.2080	0.110	5	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:2:3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]C)(S[5a]C[5a])	S[5a](C[5a]N[5a]C[5])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a])(CNO)	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]C)(S[5a]C[5a]){1|N<2>,3|C<3>}	S[5a](C[5a]N[5a]C[5])(C[5a]C[5a]2){1|C<2>,2|C<3>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a])(CNO){1|S<2>,2|C<3>}	110.1000	0.223	2	110.1000	0.050	2	110.1000	0.050	2	110.0646	7.032	7	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:2:3:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(CNO)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){5|C<3>}	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(CNO){3|C<3>}	108.6980	0.000	1	108.6980	0.000	1	108.6003	0.027	4	110.0646	7.032	7	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:2:3:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(COO)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){5|C<3>}	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(COO){3|C<3>}	108.6020	0.000	1	108.6020	0.000	1	108.6003	0.027	4	110.0646	7.032	7	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:2:3:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(COO)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(S[5a]C[5a]){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N){3|C<3>}	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(COO){1|N<3>,2|C<3>}	108.5505	0.260	2	108.5505	0.067	2	108.6003	0.027	4	110.0646	7.032	7	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:2:3:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:C-3:	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]O)	C[5a](C[5a]C[6a]S[5a])(S[5a]C[5a])(COO)	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(S[5a]C[5a]){1|O<1>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]O){3|C<3>}	C[5a](C[5a]C[6a]S[5a])(S[5a]C[5a])(COO){1|O<1>,2|C<3>}	115.8510	0.000	1	115.8510	0.000	1	115.8510	0.000	1	110.0646	7.032	7	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:2:4:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a,6a]N[5a])(C[5a]N[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]N[5a]C)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a])(CH3)	C[5a](C[5a]N[5a,6a]N[5a])(C[5a]N[5a]C)(S[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]N[5a]C){1|C<4>,1|N<2>,1|N<3>}	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a])(CH3){1|C<4>,1|N<2>,1|N<3>}	109.7930	0.000	1	109.7930	0.000	1	109.7930	0.000	1	109.8438	1.130	15	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:2:4:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(CCHH)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,4|C<3>}	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(CCHH){3|C<3>}	109.4240	0.000	1	109.4240	0.000	1	109.3078	0.484	6	109.8438	1.130	15	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:2:4:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(CC[6a]2H)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C){1|C<4>,2|C<3>}	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(CC[6a]2H){1|C<4>,2|C<3>}	108.8055	0.120	2	108.8055	0.014	2	109.3078	0.484	6	109.8438	1.130	15	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:2:4:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(CH3)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(S[5a]C[5a]){2|Cl<1>,1|C<4>,2|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C){1|C<4>,2|C<3>}	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(CH3){1|C<4>,2|C<3>}	110.0840	0.000	1	110.0840	0.000	1	109.3078	0.484	6	109.8438	1.130	15	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:2:4:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(CHHS)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C){1|C<4>,2|C<3>}	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(CHHS){1|C<4>,2|C<3>}	108.5650	0.000	1	108.5650	0.000	1	109.3078	0.484	6	109.8438	1.130	15	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:2:4:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[5])	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(CH3)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[5]){1|C<4>,1|N<3>,1|S<2>,2|C<3>}	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(CH3){3|C<3>}	110.1630	0.000	1	110.1630	0.000	1	109.3078	0.484	6	109.8438	1.130	15	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:2:4:	C[5a]-3:N[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]N[5a])2	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(CCHH)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]2)(S[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]N[5a])2{1|C<4>,1|N<2>,1|S<2>,2|C<3>}	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(CCHH){3|C<3>}	112.1270	0.000	1	112.1270	0.000	1	112.1270	0.000	1	109.8438	1.130	15	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:2:4:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(CH3)	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]C)(S[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N){1|C<3>,1|C<4>,1|N<2>}	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(CH3){1|C<3>,1|N<2>,1|N<3>}	109.6055	0.242	6	109.6055	0.058	6	109.6055	0.058	6	109.8438	1.130	15	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:2:4:	N[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(CC3)	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]C)(S[5a]C[5a]){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	S[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N){1|C<3>,1|C<4>,1|N<2>}	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(CC3){1|C<3>,1|N<2>,1|N<3>}	112.2570	0.000	1	112.2570	0.000	1	112.2570	0.000	1	109.8438	1.130	15	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	B-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](BC[5a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]B)(H)	C[5a](BC[5a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]B){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]B)(H){1|C<3>}	108.9670	0.000	1	108.9670	0.000	1	109.3380	0.275	2	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	B-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](BC[5a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]B)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]B)(H)	C[5a](BC[5a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>}	S[5a](C[5a]C[5a]B)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]B)(H){1|H<1>}	109.7090	0.000	1	109.7090	0.000	1	109.3380	0.275	2	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	B[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](B[5a]N[5a]2)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]B[5a]C[5a])(C[5a]C[5a]2)	C[5a](C[5a]B[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](B[5a]N[5a]2)(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,2|C<4>,3|C<3>}	S[5a](C[5a]B[5a]C[5a])(C[5a]C[5a]2){1|C<3>,1|S<2>,2|H<1>,2|N<3>}	C[5a](C[5a]B[5a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,2|N<3>}	108.8413	0.291	3	108.8413	0.085	3	108.8076	0.119	14	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	B[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](B[5a]N[5a]2)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]B[5a]C[5a])(C[5a]C[5a]C[6a])	C[5a](C[5a]B[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](B[5a]N[5a]2)(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,2|C<4>,3|C<3>}	S[5a](C[5a]B[5a]C[5a])(C[5a]C[5a]C[6a]){2|C<3>,2|H<1>,2|N<3>}	C[5a](C[5a]B[5a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,2|N<3>}	108.7017	0.075	3	108.7017	0.006	3	108.8076	0.119	14	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	B[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](B[5a]N[5a]2)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]B[5a]C[5a])(C[5a]C[5a]P)	C[5a](C[5a]B[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](B[5a]N[5a]2)(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,1|P<3>,2|C<3>,2|C<4>}	S[5a](C[5a]B[5a]C[5a])(C[5a]C[5a]P){2|H<1>,2|N<3>}	C[5a](C[5a]B[5a]S[5a])(C[5a]C[5a]H)(H){1|P<3>,2|N<3>}	109.3460	0.000	1	109.4500	0.022	2	108.8076	0.119	14	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	B[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](B[5a]N[5a]2)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]B[5a]C[5a])(C[5a]C[5a]P)	C[5a](C[5a]B[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](B[5a]N[5a]2)(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,1|P<4>,2|C<3>,2|C<4>}	S[5a](C[5a]B[5a]C[5a])(C[5a]C[5a]P){2|H<1>,2|N<3>}	C[5a](C[5a]B[5a]S[5a])(C[5a]C[5a]H)(H){1|P<4>,2|N<3>}	109.5540	0.000	1	109.4500	0.022	2	108.8076	0.119	14	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	B[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](B[5a]N[5a]2)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]B[5a]C[5a])2	C[5a](C[5a]B[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](B[5a]N[5a]2)(C[5a]C[5a]H)(S[5a]C[5a]){1|B<3>,1|H<1>,2|C<3>,2|C<4>}	S[5a](C[5a]B[5a]C[5a])2{2|H<1>,4|N<3>}	C[5a](C[5a]B[5a]S[5a])(C[5a]C[5a]H)(H){1|B<3>,2|N<3>}	108.7498	0.111	4	108.6295	0.057	6	108.8076	0.119	14	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	B[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](B[5a]N[5a]2)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]B[5a]C[5a])2	C[5a](C[5a]B[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](B[5a]N[5a]2)(C[5a]C[5a]H)(S[5a]C[5a]){1|B<3>,1|H<1>,4|C<3>}	S[5a](C[5a]B[5a]C[5a])2{2|H<1>,4|N<3>}	C[5a](C[5a]B[5a]S[5a])(C[5a]C[5a]H)(H){1|B<3>,2|N<3>}	108.3890	0.273	2	108.6295	0.057	6	108.8076	0.119	14	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	109.4462	1.336	8	109.4462	1.785	8	108.8793	0.822	37	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	108.6689	0.651	28	108.6689	0.423	28	108.8793	0.822	37	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	110.2340	0.000	1	110.2340	0.000	1	108.8793	0.822	37	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5,5a]N[5])(C[5a]C[5a,5a]H)(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[5])	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C[5])(H)	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>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[5]){1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C[5])(H){1|N<3>,3|C<3>}	111.0030	0.000	1	111.0030	0.000	1	111.0030	0.000	1	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5,5]C[5])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	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>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){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>}	110.7672	0.391	4	110.7672	0.153	4	110.4573	2.779	60	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5,5]Se[5])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]Br)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	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>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]Br){1|Se<2>,1|C<3>,2|H<1>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){1|Br<1>,1|Se<2>,1|C<3>}	109.6365	0.193	4	109.6365	0.037	4	110.4573	2.779	60	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5,5]Se[5])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	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>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|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>}	109.5240	0.000	1	109.5240	0.000	1	110.4573	2.779	60	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5,5a]C[5,6a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]C)(H)	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>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]C)(H){3|C<3>}	108.6040	0.000	1	108.6040	0.000	1	110.4573	2.779	60	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5,5a]C[5])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]Br)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	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>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]Br){2|C<3>,2|H<1>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){1|Br<1>,2|C<3>}	119.5140	0.000	1	119.5140	0.000	1	110.4573	2.779	60	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5,5a]N[5])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	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>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C){1|C<3>,1|N<3>,2|H<1>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){1|N<3>,2|C<3>}	109.6470	0.000	1	109.6470	0.000	1	110.4573	2.779	60	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5,5a]N[5])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]F)(H)	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>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<3>,1|F<1>,1|H<1>,1|N<3>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]F)(H){1|C<3>,1|H<1>,1|N<3>}	110.6350	0.000	1	110.6350	0.000	1	110.4573	2.779	60	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5,5a]N[5])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	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>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<3>,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|N<3>}	109.9446	0.529	7	109.9446	0.280	7	110.4573	2.779	60	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5,6]C[5])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5]C[5,6]C[5])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,5|C<3>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<3>,1|C<4>,2|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>}	109.8680	0.000	1	109.8680	0.000	1	110.4573	2.779	60	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5,6]P[5])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	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>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<3>,1|P<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>}	109.9622	1.076	8	110.2443	1.216	13	110.4573	2.779	60	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5,6]P[5])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	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>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<3>,1|P<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>}	110.9235	1.125	4	110.2443	1.216	13	110.4573	2.779	60	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5,6]P[5])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	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>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<3>,1|P<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>}	109.7840	0.000	1	110.2443	1.216	13	110.4573	2.779	60	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5,6a]2)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5]C[5,6a]2)(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,4|C<3>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){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>}	110.6370	0.000	1	110.6370	0.000	1	110.4573	2.779	60	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5,6a]C[5])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(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>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){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>}	111.3470	0.000	1	111.5960	0.124	2	110.4573	2.779	60	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5,6a]C[5])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	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>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){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>}	111.8450	0.000	1	111.5960	0.124	2	110.4573	2.779	60	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]Cl)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	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>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]Cl){1|C<3>,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>}	111.2830	0.000	1	111.2830	0.000	1	110.4573	2.779	60	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	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>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<3>,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|N<3>}	108.0350	0.000	1	110.0824	1.984	5	110.4573	2.779	60	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	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>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<4>,1|N<2>,2|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>}	111.2870	0.694	2	110.0824	1.984	5	110.4573	2.779	60	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	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>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<4>,1|N<2>,2|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>}	110.2850	0.000	1	110.0824	1.984	5	110.4573	2.779	60	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	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>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<4>,1|N<2>,2|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>}	109.5180	0.000	1	110.0824	1.984	5	110.4573	2.779	60	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5]O[5])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	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>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<3>,1|O<2>,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>}	110.9470	0.000	1	110.9470	0.000	1	110.4573	2.779	60	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	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>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C){1|C<3>,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>}	110.2620	0.000	1	110.1108	0.572	6	110.4573	2.779	60	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	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>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C){1|C<3>,1|S<4>,2|H<1>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){1|S<4>,2|C<3>}	109.2545	0.087	2	110.1108	0.572	6	110.4573	2.779	60	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	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>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C){1|C<3>,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>}	110.0260	0.000	1	110.1108	0.572	6	110.4573	2.779	60	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C){1|C<2>,1|S<2>,2|H<1>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){1|C<2>,1|C<3>,1|S<2>}	110.9340	0.000	2	110.1108	0.572	6	110.4573	2.779	60	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	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>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<3>,1|S<2>,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>}	109.1827	2.825	3	110.2640	6.435	6	110.4573	2.779	60	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	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>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<3>,1|S<2>,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>}	113.7780	0.000	1	110.2640	6.435	6	110.4573	2.779	60	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	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>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<3>,1|S<2>,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>}	110.1290	0.566	2	110.2640	6.435	6	110.4573	2.779	60	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]N[5]P[5])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	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>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|N<2>,1|P<4>,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>}	111.3560	0.000	1	111.3560	0.000	1	110.4573	2.779	60	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]N[5]S[5])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	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>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|N<3>,1|S<2>,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>}	111.7110	0.000	1	111.7110	0.000	1	110.4573	2.779	60	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]Se[5]N[5])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	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>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|Se<2>,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>}	111.7270	0.604	2	111.7270	0.365	2	110.4573	2.779	60	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:O-1:	C[5a](C[5]C[5,6a]C[5])(C[5a]N[5a]O)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]N[5a]S)	C[5a](C[5a]S[5a]C[5])(N[5a]C[5a]C)(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>}	S[5a](C[5a]C[5a]C[5])(C[5a]N[5a]S){1|C<4>,1|O<1>,2|C<3>}	C[5a](C[5a]S[5a]C[5])(N[5a]C[5a]C)(O){1|S<1>,2|C<3>}	109.8890	0.000	1	109.8890	0.000	1	109.8890	0.000	1	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(CC[6a]C[5])(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(CC[6a]C[5])(S[5a]C[5a]){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	109.0468	1.040	12	109.0468	1.082	12	109.4663	0.863	46	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(CC[6a]C[5])(S[5a]C[5a])	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(CC[6a]C[5])(S[5a]C[5a]){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	109.6125	0.867	33	109.6125	0.752	33	109.4663	0.863	46	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(CC[6a]C[5])(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](C[5a]C[5a]H)(CC[6a]C[5])(S[5a]C[5a]){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	109.6740	0.000	1	109.6740	0.000	1	109.4663	0.863	46	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]S[5a])(C[5a]C[5,5a]H)(S[5a]C[5,5a])	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]2)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]S[5a])(H)	C[5a](C[5a]C[5,5a]S[5a])(C[5a]C[5,5a]H)(S[5a]C[5,5a]){5|C<3>}	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]2){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])(H){1|C<4>,1|O<1>,1|S<2>,2|C<3>}	113.0340	0.000	1	113.0340	0.000	1	112.1956	1.460	14	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5,5a]H)(S[5a]C[5,5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]2)	C[5a](C[5,5a]C[5,5a]C[5,5])(C[5a]C[5a]S[5a])(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5,5a]H)(S[5a]C[5,5a]){1|C<4>,1|H<1>,3|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]2){1|C<4>,1|H<1>,2|C<3>,2|S<2>}	C[5a](C[5,5a]C[5,5a]C[5,5])(C[5a]C[5a]S[5a])(H){1|S<2>,2|O<2>,3|C<3>}	111.2210	0.000	1	111.2210	0.000	1	112.1956	1.460	14	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5,5a]H)(S[5a]C[5,5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]2)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]S[5a])(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5,5a]H)(S[5a]C[5,5a]){1|H<1>,4|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]2){1|H<1>,2|S<2>,3|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>}	112.0555	2.804	2	112.0555	7.861	2	112.1956	1.460	14	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5,5a]H)(S[5a]C[5,5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]2)	C[5a](C[5,5a]C[5,5a]Si[5])(C[5a]C[5a]S[5a])(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5,5a]H)(S[5a]C[5,5a]){1|Si<4>,1|H<1>,3|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]2){1|Si<4>,1|H<1>,2|C<3>,2|S<2>}	C[5a](C[5,5a]C[5,5a]Si[5])(C[5a]C[5a]S[5a])(H){1|S<2>,5|C<3>}	110.2960	0.000	1	110.2960	0.000	1	112.1956	1.460	14	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5,5a]H)(S[5a]C[5,5a])	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]2)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]S[5a])(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5,5a]H)(S[5a]C[5,5a]){1|C<4>,1|H<1>,3|C<3>}	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]2){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]S[5a])(H){1|S<2>,2|C<4>,3|C<3>}	111.5440	0.000	1	111.7790	0.110	2	112.1956	1.460	14	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5,5a]H)(S[5a]C[5,5a])	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]2)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]S[5a])(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5,5a]H)(S[5a]C[5,5a]){1|C<4>,1|H<1>,3|C<3>}	S[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]2){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]S[5a])(H){1|S<2>,5|C<3>}	112.0140	0.000	1	111.7790	0.110	2	112.1956	1.460	14	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5,5a]H)(S[5a]C[5,5a])	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]2)	C[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]S[5a])(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5,5a]H)(S[5a]C[5,5a]){1|H<1>,4|C<3>}	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]2){1|H<1>,1|S<2>,4|C<3>}	C[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]S[5a])(H){1|S<2>,4|C<3>}	111.7470	0.000	1	111.7470	0.000	1	112.1956	1.460	14	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5,5a]H)(S[5a]C[5,5a])	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]2)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]S[5a])(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5,5a]H)(S[5a]C[5,5a]){1|H<1>,4|C<3>}	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]2){1|H<1>,1|N<3>,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])(H){1|N<3>,1|O<1>,1|S<2>,2|C<3>}	112.2560	0.000	1	112.2560	0.000	1	112.1956	1.460	14	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5,5a]H)(S[5a]C[5,5a])	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]2)	C[5a](C[5,5a]C[5,5a]N[5])(C[5a]C[5a]S[5a])(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5,5a]H)(S[5a]C[5,5a]){1|H<1>,1|N<3>,3|C<3>}	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]2){1|H<1>,1|N<3>,1|O<1>,1|S<2>,2|C<3>}	C[5a](C[5,5a]C[5,5a]N[5])(C[5a]C[5a]S[5a])(H){1|C<4>,1|S<2>,3|C<3>}	112.9215	0.332	2	113.1633	0.435	4	112.1956	1.460	14	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5,5a]H)(S[5a]C[5,5a])	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]2)	C[5a](C[5,5a]C[5,5a]N[5])(C[5a]C[5a]S[5a])(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5,5a]H)(S[5a]C[5,5a]){1|H<1>,1|N<3>,3|C<3>}	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]2){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[5a](C[5,5a]C[5,5a]N[5])(C[5a]C[5a]S[5a])(H){1|C<4>,1|S<2>,3|C<3>}	113.4050	0.980	2	113.1633	0.435	4	112.1956	1.460	14	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5,5a]H)(S[5a]C[5,5a])	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]2)	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]C[5a]S[5a])(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5,5a]H)(S[5a]C[5,5a]){1|H<1>,1|S<4>,3|C<3>}	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]2){1|S<2>,1|S<4>,2|C<3>,2|H<1>}	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]C[5a]S[5a])(H){1|S<2>,2|O<1>,3|C<3>}	111.8620	0.000	1	111.8620	0.000	1	112.1956	1.460	14	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a,5a]Br)(C[5a]C[5a]S[5a])(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]S[5a])(Br)	C[5a](C[5a]C[5a,5a]Br)(C[5a]C[5a]S[5a])(S[5a]C[5a,5a]){1|H<1>,1|S<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2){2|Br<1>,2|C<3>,2|S<2>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]S[5a])(Br){1|S<2>,3|C<3>}	113.2130	0.000	1	113.2130	0.000	1	113.2130	0.000	1	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,5a]H)(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]S[5a])(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,5a]H)(S[5a]C[5a,5a]){1|N<3>,1|S<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]S[5a])(H){1|N<2>,3|C<3>}	114.7440	0.000	1	114.7440	0.000	1	112.6434	0.689	16	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a,5a]H)(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2)	C[5a](C[5a,5a]C[5a,5a]O[5a])(C[5a]C[5a]S[5a])(H)	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a,5a]H)(S[5a]C[5a,5a]){1|H<1>,1|O<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2){2|C<3>,2|H<1>,2|O<2>}	C[5a](C[5a,5a]C[5a,5a]O[5a])(C[5a]C[5a]S[5a])(H){1|O<2>,3|C<3>}	113.7760	0.000	1	113.7760	0.000	1	112.6434	0.689	16	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,5a]H)(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]2)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]S[5a])(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,5a]H)(S[5a]C[5a,5a]){1|C<4>,1|S<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]2){1|H<1>,2|C<3>,3|S<2>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]S[5a])(H){1|S<2>,3|C<3>}	111.5250	0.040	2	112.1539	0.221	9	112.6434	0.689	16	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,5a]H)(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]2)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]S[5a])(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,5a]H)(S[5a]C[5a,5a]){1|H<1>,1|S<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]2){1|H<1>,2|C<3>,3|S<2>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]S[5a])(H){1|S<2>,3|C<3>}	112.3336	0.353	7	112.1539	0.221	9	112.6434	0.689	16	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,5a]H)(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2)	C[5a](C[5a,5a]C[5a,5a]O[5a])(C[5a]C[5a]S[5a])(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,5a]H)(S[5a]C[5a,5a]){1|H<1>,1|O<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a,5a]C[5a,5a]O[5a])(C[5a]C[5a]S[5a])(H){1|S<2>,3|C<3>}	112.8020	0.000	1	112.8020	0.000	1	112.6434	0.689	16	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,5a]H)(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]S[5a])(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,5a]H)(S[5a]C[5a,5a]){1|C<4>,1|S<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2){2|C<3>,2|H<1>,2|S<2>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]S[5a])(H){1|S<2>,3|C<3>}	112.9380	0.000	1	112.7045	0.109	2	112.6434	0.689	16	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,5a]H)(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]S[5a])(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,5a]H)(S[5a]C[5a,5a]){1|H<1>,1|S<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2){2|C<3>,2|H<1>,2|S<2>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]S[5a])(H){1|S<2>,3|C<3>}	112.4710	0.000	1	112.7045	0.109	2	112.6434	0.689	16	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a,5a]C[5a])(C[5a]C[5a,5a]H)(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]S[5a])(H)	C[5a](C[5a]N[5a,5a]C[5a])(C[5a]C[5a,5a]H)(S[5a]C[5a,5a]){1|B<4>,1|N<2>,1|S<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2){1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]S[5a])(H){1|N<3>,3|C<3>}	112.7920	0.000	1	112.7920	0.000	1	112.6434	0.689	16	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a,5a]H)(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]S[5a])(H)	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a,5a]H)(S[5a]C[5a,5a]){1|S<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2){1|C<3>,1|N<2>,2|H<1>,2|S<2>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]S[5a])(H){1|N<2>,1|S<2>,2|C<3>}	113.3870	0.000	1	113.3870	0.000	1	112.6434	0.689	16	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,6,6]-3:C[5a]-3:	C[5a,6,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6,6]H)(C[5a]C[5a]S[5a])(S[5a]C[5a,6,6])	S[5a](C[5a,6,6]C[5a,6,6]C[3x6])(C[5a]C[5a]2)	C[5a](C[5a,6,6]C[5a,6,6]C[3x6])(C[5a]C[5a]S[5a])(H)	C[5a](C[5a]C[5a,6,6]H)(C[5a]C[5a]S[5a])(S[5a]C[5a,6,6]){1|H<1>,2|C<3>,2|C<4>}	S[5a](C[5a,6,6]C[5a,6,6]C[3x6])(C[5a]C[5a]2){1|C<3>,1|S<2>,2|H<1>,3|C<4>}	C[5a](C[5a,6,6]C[5a,6,6]C[3x6])(C[5a]C[5a]S[5a])(H){1|C<3>,1|H<1>,1|S<2>,3|C<4>}	111.2480	0.000	1	111.2480	0.000	1	111.2480	0.000	1	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,6a]H)(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,6a]H)(S[5a]C[5a,6a]){1|H<1>,5|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2){1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(H){1|H<1>,1|N<3>,3|C<3>}	112.0610	0.000	1	112.0910	0.002	2	114.0734	11.313	5	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,6a]H)(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,6a]H)(S[5a]C[5a,6a]){1|N<2>,1|N<3>,3|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2){1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(H){1|H<1>,1|N<2>,3|C<3>}	112.1210	0.000	1	112.0910	0.002	2	114.0734	11.313	5	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,6a]H)(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,6a]H)(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2){1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(H){1|H<1>,1|S<2>,3|C<3>}	116.0780	5.418	2	116.0780	29.353	2	114.0734	11.313	5	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]O[5a])(C[5a]C[5a,6a]H)(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(H)	C[5a](C[5a]N[5a]O[5a])(C[5a]C[5a,6a]H)(S[5a]C[5a,6a]){4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	114.0290	0.000	1	114.0290	0.000	1	114.0734	11.313	5	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a,6]S[5a])(C[5a]C[5a]Br)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(Br)	C[5a](C[5a]C[5a,6]S[5a])(C[5a]C[5a]Br)(S[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|Br<1>,1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(Br){1|C<3>,1|H<1>,1|S<2>}	108.2900	0.000	1	108.2900	0.000	1	108.6848	0.209	5	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Br)(S[5a]C[5a])	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(Br)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Br)(S[5a]C[5a]){2|Br<1>,1|H<1>,2|C<3>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2){1|Br<1>,1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(Br){1|Br<1>,1|C<3>,1|S<2>}	109.2320	0.000	1	109.2320	0.000	1	108.6848	0.209	5	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Br)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(Br)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Br)(S[5a]C[5a]){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]2){1|Br<1>,1|C<3>,1|S<2>,2|H<1>,2|O<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(Br){1|C<3>,1|C<4>,1|S<2>}	108.1480	0.000	1	108.1480	0.000	1	108.6848	0.209	5	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Br)(S[5a]C[5a])	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(Br)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Br)(S[5a]C[5a]){1|Br<1>,1|Si<4>,1|H<1>,2|C<3>}	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]2){1|Br<1>,1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(Br){1|Si<4>,1|C<3>,1|S<2>}	108.8770	0.132	2	108.8770	0.017	2	108.6848	0.209	5	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Cl)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Cl)(Cl)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Cl)(S[5a]C[5a]){2|Cl<1>,1|H<1>,2|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){2|Cl<1>,1|C<3>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Cl)(Cl){1|C<3>,1|H<1>,1|S<2>}	108.9230	0.000	1	108.9230	0.000	1	108.9230	0.000	1	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|N<3>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|Br<1>,2|C<3>}	109.5410	0.000	1	109.5410	0.000	1	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]F)(H)	C[5a](C[5a]C[5,5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|F<1>,1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|F<1>,1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]F)(H){1|C<3>,1|H<1>,1|N<3>}	110.8500	0.000	1	110.8500	0.000	1	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5,5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>}	110.1256	0.347	5	110.2398	0.175	6	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5,5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){3|C<3>,3|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>}	110.8110	0.000	1	110.2398	0.175	6	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5,5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,5|C<3>}	S[5a](C[5a]C[5a]2)2{1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|N<3>,2|C<3>}	110.1910	0.000	1	110.1910	0.000	1	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5,5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|S<2>}	111.4290	1.000	6	111.4290	1.000	6	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]C[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,5a]C[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|O<1>,2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	109.8650	1.179	2	109.8650	1.391	2	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]C[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6]C[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Br<1>,1|N<3>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	112.2080	0.000	1	112.2080	0.000	1	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5,5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C[5,5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,5|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(H){3|C<3>}	108.3760	0.000	1	108.3760	0.000	1	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>}	108.9890	0.000	1	108.9890	0.000	1	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]N[5a,6])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]N[5a,6])(C[5a]C[5a]H)(S[5a]C[5a]){1|Si<4>,1|B<4>,1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]2){1|C<3>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|Si<4>,1|C<3>,1|N<3>}	109.1240	0.218	2	109.1240	0.047	2	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]O[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]O[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,4|C<3>}	S[5a](C[5a]C[5a]2)2{1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|O<2>,2|C<3>}	111.3300	0.000	1	111.3300	0.000	1	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|S<2>}	111.6363	0.519	3	111.6363	0.269	3	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|Br<1>,1|C<3>,1|S<2>}	111.2790	0.000	1	111.2790	0.000	1	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(S[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	109.9230	0.000	1	109.9230	0.000	1	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<2>,1|S<2>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)2{2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){3|C<3>}	110.5812	0.193	4	110.6930	0.055	9	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(S[5a]C[5a]){1|S<2>,2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]2)2{1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){3|C<3>}	110.7824	0.243	5	110.6930	0.055	9	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(S[5a]C[5a]){1|Si<4>,1|C<3>,1|S<2>,3|H<1>}	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]2){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|Si<4>,2|C<3>}	109.3240	0.000	1	109.3240	0.000	1	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|N<2>,1|N<3>}	111.4580	0.960	2	111.4580	0.922	2	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a]){1|C<3>,1|O<2>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){2|H<1>,2|N<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|H<1>,2|N<2>}	111.7350	0.000	1	111.1229	3.367	10	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|H<1>,1|N<2>,1|N<3>}	110.3133	1.063	6	111.1229	3.367	10	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a]){2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|H<1>,1|N<2>,1|N<3>}	110.9975	0.326	2	111.1229	3.367	10	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|H<1>,1|N<2>,1|N<3>}	115.6190	0.000	1	111.1229	3.367	10	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)2{1|C<3>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|N<2>,1|N<3>}	111.7020	0.000	1	110.9430	0.227	6	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)2{1|C<3>,1|N<2>,1|N<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|N<2>,1|N<3>}	110.6225	0.482	2	110.9430	0.227	6	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)2{2|H<1>,2|N<2>,2|N<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|N<2>,1|N<3>}	110.6550	0.000	1	110.9430	0.227	6	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)2{2|H<1>,2|N<2>,2|N<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|N<2>,1|N<3>}	111.0280	0.151	2	110.9430	0.227	6	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a]){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2){1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|Br<1>,1|N<2>,1|N<3>}	110.4640	0.000	1	110.8106	0.515	5	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a]){1|Br<1>,1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2){1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|Br<1>,1|N<2>,1|N<3>}	110.2260	0.297	2	110.8106	0.515	5	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a]){1|Br<1>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2){1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|Br<1>,1|N<2>,1|N<3>}	111.5685	0.138	2	110.8106	0.515	5	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|N<2>,1|N<3>}	109.9943	0.475	3	110.0405	0.159	4	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a]){1|H<1>,4|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|N<2>,1|N<3>}	110.1790	0.000	1	110.0405	0.159	4	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|N<3>,2|C<3>}	109.7902	0.892	5	110.2077	0.475	13	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,4|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|N<3>,2|C<3>}	110.4686	0.396	8	110.2077	0.475	13	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>}	111.9530	1.597	2	111.3042	1.502	20	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<2>,2|N<2>,3|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>}	111.1440	0.000	1	111.3042	1.502	20	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>}	110.1410	0.000	1	111.3042	1.502	20	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	110.8730	0.000	1	111.3042	1.502	20	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	111.5100	0.000	1	111.3042	1.502	20	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	111.5915	1.617	6	111.3042	1.502	20	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>}	110.2185	0.362	4	111.3042	1.502	20	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<2>,2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>}	112.4900	0.000	1	111.3042	1.502	20	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	112.8900	0.000	1	111.3042	1.502	20	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){3|C<3>,3|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>}	111.3530	0.972	2	111.3042	1.502	20	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)2{2|C<3>,2|H<1>,2|N<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|N<3>,2|C<3>}	109.7085	0.013	2	109.7085	0.000	2	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|N<2>,3|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|O<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|O<2>}	110.4990	0.000	1	112.1137	1.536	4	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|O<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|O<2>}	112.2330	0.000	1	112.1137	1.536	4	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|O<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|O<2>}	113.5200	0.000	1	112.1137	1.536	4	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|O<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|O<2>}	112.2030	0.000	1	112.1137	1.536	4	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)2{1|C<3>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|O<2>,2|C<3>}	109.6960	0.000	1	110.5280	1.384	2	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)2{1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|O<2>,2|C<3>}	111.3600	0.000	1	110.5280	1.384	2	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]B[5,5]C[5a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	S[5a](C[5a]B[5,5]C[5a])(C[5a]C[5a]2){1|C<3>,1|C<4>,1|H<1>,1|N<4>,1|S<2>,2|O<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(H){1|B<4>,1|C<3>,1|S<2>}	109.6605	0.449	2	109.6605	0.202	2	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]B[5a]C[5a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|B<3>,2|C<3>,2|H<1>}	S[5a](C[5a]B[5a]C[5a])(C[5a]C[5a]2){1|C<3>,1|S<2>,2|H<1>,2|N<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|B<3>,1|C<3>,1|S<2>}	110.0717	0.089	3	110.0717	0.008	3	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]B)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|B<3>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]B){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|B<3>,1|C<3>,1|S<2>}	110.4327	0.247	3	110.3170	0.094	4	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]B)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|B<4>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]B){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|B<4>,1|C<3>,1|S<2>}	109.9700	0.000	1	110.3170	0.094	4	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|C<4>,3|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(H){1|S<2>,2|C<3>}	109.0540	0.570	2	109.0540	0.325	2	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C[5])(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C[5])(H){1|S<2>,2|C<3>,2|C<4>}	110.0030	0.000	1	110.0030	0.000	1	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|S<2>}	109.9950	0.000	1	110.4926	0.739	62	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|S<2>}	109.5960	0.000	1	110.4926	0.739	62	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<2>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|C<2>,1|C<3>,1|S<2>}	110.3020	0.763	8	110.4926	0.739	62	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|S<2>,2|C<3>}	109.0130	0.102	2	110.4926	0.739	62	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|S<2>}	110.0528	0.664	8	110.4926	0.739	62	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,1|S<2>,3|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|S<2>,2|C<3>}	109.5825	0.207	2	110.4926	0.739	62	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|S<2>}	109.3205	0.118	2	110.4926	0.739	62	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|S<2>,2|C<3>}	110.8495	0.759	38	110.4926	0.739	62	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]N)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,1|N<2>,3|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]N)(H){1|S<2>,2|C<3>}	112.2410	0.000	1	112.1860	0.006	2	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]N)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,1|N<3>,3|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]N)(H){1|S<2>,2|C<3>}	112.1310	0.000	1	112.1860	0.006	2	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	110.8790	0.000	1	110.8790	0.000	1	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(H){1|C<3>,1|H<1>,1|S<2>}	110.3350	0.000	1	110.3350	0.000	1	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Br<1>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|S<2>}	110.0340	0.000	1	111.3292	1.798	69	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|S<2>}	111.7810	2.052	6	111.3292	1.798	69	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|S<2>}	111.3100	1.280	61	111.3292	1.798	69	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|S<2>}	111.0860	0.000	1	111.3292	1.798	69	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,1|N<3>,3|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]N){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(H){1|C<3>,1|N<3>,1|S<2>}	110.8010	0.000	1	110.8010	0.000	1	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]N){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|N<3>,1|S<2>}	111.0500	0.294	2	110.6530	0.163	7	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]N){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|N<3>,1|S<2>}	110.5627	0.345	4	110.6530	0.163	7	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]N){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|N<3>,1|S<2>}	110.2200	0.000	1	110.6530	0.163	7	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]P)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|P<4>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]P){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|P<4>,1|S<2>}	110.4659	0.536	18	110.4659	0.287	18	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]S)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]S){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,2|S<2>}	110.5466	0.458	25	110.5466	0.210	25	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]S)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]S)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,2|C<3>,2|S<2>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]S){1|C<3>,1|H<1>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]S)(H){1|C<3>,2|S<2>}	113.3390	0.619	2	113.3390	0.384	2	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]B)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|B<3>,1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)2{1|B<3>,1|H<1>,2|C<3>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]B)(H){1|S<2>,2|C<3>}	109.5680	0.000	1	109.7990	0.107	2	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]B)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|B<4>,1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)2{1|B<4>,1|H<1>,2|C<3>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]B)(H){1|S<2>,2|C<3>}	110.0300	0.000	1	109.7990	0.107	2	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)2{1|C<4>,1|H<1>,2|C<3>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(H){1|S<2>,2|C<3>}	110.3835	0.565	8	110.1888	0.420	10	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|C<4>,3|C<3>}	S[5a](C[5a]C[5a]2)2{1|C<4>,1|H<1>,2|C<3>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(H){1|S<2>,2|C<3>}	109.4100	0.171	2	110.1888	0.420	10	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<2>,1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)2{2|C<3>,2|H<1>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|S<2>,2|C<3>}	110.0210	0.370	7	110.3904	0.287	113	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)2{2|C<3>,2|H<1>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|S<2>,2|C<3>}	109.6870	0.411	8	110.3904	0.287	113	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,1|P<3>,3|C<3>}	S[5a](C[5a]C[5a]2)2{2|C<3>,2|H<1>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|S<2>,2|C<3>}	110.0560	0.235	2	110.3904	0.287	113	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,4|C<3>}	S[5a](C[5a]C[5a]2)2{2|C<3>,2|H<1>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|S<2>,2|C<3>}	110.6545	0.056	2	110.3904	0.287	113	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)2{1|C<3>,1|N<2>,1|N<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|S<2>,2|C<3>}	110.8385	0.257	2	110.3904	0.287	113	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)2{1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|S<2>,2|C<3>}	110.6040	0.000	1	110.3904	0.287	113	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)2{1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|S<2>,2|C<3>}	110.2280	0.453	2	110.3904	0.287	113	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)2{1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|S<2>,2|C<3>}	110.6584	0.254	5	110.3904	0.287	113	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)2{2|C<3>,2|H<1>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|S<2>,2|C<3>}	110.4645	0.526	84	110.3904	0.287	113	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]P)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,1|P<4>,3|C<3>}	S[5a](C[5a]C[5a]2)2{1|H<1>,1|P<4>,2|C<3>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]P)(H){1|S<2>,2|C<3>}	110.4800	0.115	3	110.4800	0.013	3	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]B[5])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|B<4>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]B[5])(C[5a]C[5a]2){1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|B<4>,1|C<3>,1|S<2>}	109.5110	0.000	1	109.5110	0.000	1	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Br<1>,1|C<2>,1|C<4>,2|C<3>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(H){1|Br<1>,1|C<3>,1|S<2>}	110.0690	0.000	1	110.0690	0.000	1	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Br<1>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|Br<1>,1|C<3>,1|S<2>}	110.4837	0.637	9	110.4837	0.406	9	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]2){1|C<3>,1|S<2>,2|H<1>,2|N<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|S<2>,2|C<3>}	111.4572	0.526	6	111.3570	0.301	7	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]2){1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|S<2>,2|C<3>}	110.7560	0.000	1	111.3570	0.301	7	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]2){1|S<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|S<2>}	110.3475	0.052	2	110.5294	0.125	5	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]2){1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|S<2>,2|C<3>}	110.6507	0.440	3	110.5294	0.125	5	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Pd)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Pd<4>,1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]2){1|Pd<4>,1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Pd)(H){1|S<2>,2|C<3>}	111.0310	0.000	1	111.0310	0.000	1	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Pt)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Pt<4>,1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]2){1|Pt<4>,1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Pt)(H){1|S<2>,2|C<3>}	109.8450	0.000	1	109.8450	0.000	1	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2){1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|S<2>,2|C<3>}	110.2350	0.000	1	110.5200	0.128	43	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|S<2>,2|C<3>}	110.7357	0.438	4	110.5200	0.128	43	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2){1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|S<2>,2|C<3>}	110.5048	0.350	38	110.5200	0.128	43	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]Ge)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Ge<4>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]Ge)(C[5a]C[5a]2){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|Ge<4>,1|C<3>,1|S<2>}	109.7580	0.011	2	109.7580	0.000	2	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2){1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|N<3>,1|S<2>}	110.8960	0.000	1	110.8960	0.000	1	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]Pd)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Pd<4>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]Pd)(C[5a]C[5a]2){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|Pd<4>,1|C<3>,1|S<2>}	108.7090	0.000	1	108.7090	0.000	1	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Si<4>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]2){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|Si<4>,1|C<3>,1|S<2>}	109.8003	0.220	3	109.8003	0.048	3	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|B<4>,2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>}	111.0687	1.476	3	111.0687	2.180	3	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Br<1>,1|B<4>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2){1|C<3>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|Br<1>,1|C<3>,1|N<3>}	110.2930	0.422	4	110.2930	0.178	4	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a,6a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a,6a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|H<1>,1|N<2>,1|N<3>}	111.2590	0.000	1	111.2590	0.000	1	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]O[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]O[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<2>,1|C<3>,1|H<1>,1|N<2>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|N<2>,1|O<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|C<2>,1|N<2>,1|O<2>}	112.0770	0.000	1	112.0770	0.000	1	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]O[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]O[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|N<2>,1|O<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|H<1>,1|N<2>,1|O<2>}	111.7245	0.344	2	111.7245	0.119	2	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]O[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]O[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)2{2|H<1>,2|N<2>,2|O<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|N<2>,1|O<2>}	111.8470	0.556	2	111.8470	0.309	2	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]O[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]O[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Br<1>,1|C<3>,1|H<1>,1|N<2>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2){1|N<2>,1|O<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|Br<1>,1|N<2>,1|O<2>}	111.6270	0.000	1	111.6270	0.000	1	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]O[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]O[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|N<2>,1|O<2>}	111.1370	0.000	1	111.1370	0.000	1	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<2>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(H){1|H<1>,1|N<2>,1|S<2>}	111.8545	0.303	2	111.4450	0.549	3	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<2>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(H){1|H<1>,1|N<2>,1|S<2>}	110.6260	0.000	1	111.4450	0.549	3	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|N<2>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|H<1>,1|N<2>,1|S<2>}	111.3330	0.763	3	111.3330	0.582	3	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)2{2|H<1>,2|N<2>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|N<2>,1|S<2>}	111.6525	0.197	4	111.6525	0.039	4	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|N<2>,1|S<2>}	111.7995	0.385	2	111.7995	0.149	2	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Si<4>,1|C<4>,2|C<3>}	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]2){1|C<4>,1|H<1>,1|N<2>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(H){1|Si<4>,1|N<2>,1|S<2>}	110.6800	0.096	2	110.6800	0.009	2	110.6806	0.896	538	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:O-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]O)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]N[5a]S)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C)(O)	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]O)(S[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|S<1>}	S[5a](C[5a]C[5a]2)(C[5a]N[5a]S){1|C<3>,1|C<4>,1|O<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C)(O){1|C<3>,1|S<1>,1|S<2>}	110.8742	0.419	13	110.8742	0.176	13	110.9069	0.177	14	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:O-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]O)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]N[5a]S)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C[6a])(O)	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]O)(S[5a]C[5a]){1|N<3>,1|O<1>,1|S<1>,2|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]N[5a]S){1|O<1>,1|S<2>,2|C<3>}	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C[6a])(O){1|S<1>,1|S<2>,3|C<3>}	111.3320	0.000	1	111.3320	0.000	1	110.9069	0.177	14	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:S-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]S)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]N[5a]O)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C)(S)	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]S)(S[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|S<1>}	S[5a](C[5a]C[5a]2)(C[5a]N[5a]O){1|C<3>,1|C<4>,1|S<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C)(S){1|C<3>,1|O<1>,1|S<2>}	110.8392	0.449	4	110.8392	0.202	4	110.8392	0.202	4	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:Br-1:	C[5a](C[5a]C[5a]Br)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]Br)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(Br)	C[5a](C[5a]C[5a]Br)(C[6a]C[6a]2)(S[5a]C[5a]){1|Br<1>,1|O<2>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]Br){1|Br<1>,1|H<1>,2|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(Br){1|Br<1>,2|C<3>}	109.1050	0.000	1	109.1050	0.000	1	109.1050	0.000	1	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]B[5a]C[5a])(C[5a]C[5a]C[6a])	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|B<3>,2|C<3>,3|H<1>}	S[5a](C[5a]B[5a]C[5a])(C[5a]C[5a]C[6a]){2|C<3>,2|H<1>,2|N<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|B<3>,2|C<3>}	109.6977	0.051	3	109.6977	0.003	3	110.2322	0.621	287	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|N<2>,2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2){1|H<1>,1|S<2>,4|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]2)(H){5|C<3>}	110.7832	0.452	4	110.7338	0.150	6	110.2322	0.621	287	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){2|H<1>,4|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2){1|H<1>,1|S<2>,4|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]2)(H){5|C<3>}	110.6350	0.331	2	110.7338	0.150	6	110.2322	0.621	287	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]B)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|B<4>,2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2){1|B<4>,1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]B)(H){3|C<3>}	109.8380	0.072	2	109.8380	0.005	2	110.2322	0.621	287	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2){1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){3|C<3>}	110.2710	0.000	1	110.1307	0.189	43	110.2322	0.621	287	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|H<1>,2|F<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2){1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){3|C<3>}	110.0571	0.603	7	110.1307	0.189	43	110.2322	0.621	287	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|N<2>,2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2){1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){3|C<3>}	109.9320	0.346	4	110.1307	0.189	43	110.2322	0.621	287	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|O<2>,2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2){1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){3|C<3>}	109.8780	0.000	1	110.1307	0.189	43	110.2322	0.621	287	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){2|H<1>,4|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2){1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){3|C<3>}	110.3215	0.159	2	110.1307	0.189	43	110.2322	0.621	287	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){3|C<3>,3|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){3|C<3>}	109.4125	0.446	2	110.1307	0.189	43	110.2322	0.621	287	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){3|C<3>,3|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){3|C<3>}	110.0000	0.000	1	110.1307	0.189	43	110.2322	0.621	287	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){3|C<3>,3|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){3|C<3>}	110.7540	0.427	2	110.1307	0.189	43	110.2322	0.621	287	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){3|C<3>,3|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2){1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){3|C<3>}	110.1899	0.353	23	110.1307	0.189	43	110.2322	0.621	287	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]P)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|P<4>,2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2){1|H<1>,1|P<4>,1|S<2>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]P)(H){3|C<3>}	110.0055	0.380	2	110.0055	0.144	2	110.2322	0.621	287	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])(H){1|C<4>,4|C<3>}	109.9231	0.097	7	110.0234	0.088	8	110.2322	0.621	287	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){2|H<1>,4|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])(H){5|C<3>}	110.7250	0.000	1	110.0234	0.088	8	110.2322	0.621	287	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]Br)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|Br<1>,1|H<1>,2|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]Br)(H){1|C<4>,2|C<3>}	110.0765	0.192	2	110.0765	0.037	2	110.2322	0.621	287	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(H){1|C<4>,2|C<3>}	109.2900	0.322	3	109.2900	0.104	3	110.2322	0.621	287	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<2>,2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(H){1|C<2>,1|C<4>,3|C<3>}	110.4307	0.744	3	110.0729	0.218	38	110.2322	0.621	287	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,2|F<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(H){2|C<4>,3|C<3>}	110.1255	0.289	4	110.0729	0.218	38	110.2322	0.621	287	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|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>}	109.9535	0.183	2	110.0729	0.218	38	110.2322	0.621	287	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(H){1|C<4>,4|C<3>}	109.6935	0.726	2	110.0729	0.218	38	110.2322	0.621	287	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(H){2|C<4>,3|C<3>}	110.0660	0.465	26	110.0729	0.218	38	110.2322	0.621	287	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){2|H<1>,4|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(H){1|C<4>,4|C<3>}	109.9660	0.000	1	110.0729	0.218	38	110.2322	0.621	287	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>,2|F<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>}	110.1430	0.000	1	110.5650	0.403	44	110.2322	0.621	287	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>}	109.9885	0.636	2	110.5650	0.403	44	110.2322	0.621	287	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>}	109.8247	0.067	3	110.5650	0.403	44	110.2322	0.621	287	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){3|C<3>,3|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){3|C<3>}	110.6649	0.616	38	110.5650	0.403	44	110.2322	0.621	287	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]N)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]N)(H){1|C<4>,2|C<3>}	110.1620	0.000	1	110.1620	0.000	1	110.2322	0.621	287	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[5])	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[5]){1|H<1>,2|C<4>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(H){3|C<3>}	111.0040	0.757	2	111.0040	0.572	2	110.2322	0.621	287	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[5])	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[5]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>}	109.7480	0.000	1	110.2520	0.225	3	110.2322	0.621	287	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[5])	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[5]){1|Fe<10>,2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>}	110.5040	0.264	2	110.2520	0.225	3	110.2322	0.621	287	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[5])	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]Ir)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|Ir<6>,2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[5]){1|Ir<6>,1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]Ir)(H){3|C<3>}	111.2640	0.126	2	111.2640	0.016	2	110.2322	0.621	287	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){2|H<1>,4|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6]){1|H<1>,5|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])(H){5|C<3>}	110.4345	0.062	2	110.4345	0.004	2	110.2322	0.621	287	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]Fe)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|Fe<8>,1|H<1>,2|C<3>,2|C<4>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]Fe){2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|Fe<8>,2|C<3>}	108.5070	0.000	1	108.5070	0.000	1	110.2322	0.621	287	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){3|C<3>,3|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]2)(H){1|H<1>,4|C<3>}	110.5010	0.069	2	110.5010	0.005	2	110.2322	0.621	287	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]Br)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|Br<1>,2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){1|Br<1>,1|H<1>,2|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]Br)(H){1|H<1>,2|C<3>}	110.4500	0.000	1	110.4500	0.000	1	110.2322	0.621	287	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(H){1|H<1>,2|C<3>}	110.1495	0.274	2	110.1495	0.075	2	110.2322	0.621	287	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|F<1>,1|O<2>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	110.4780	0.000	1	110.5717	0.765	19	110.2322	0.621	287	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	110.8930	0.000	1	110.5717	0.765	19	110.2322	0.621	287	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|O<2>,2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	110.5910	0.000	1	110.5717	0.765	19	110.2322	0.621	287	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){2|C<3>,2|F<1>,2|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	109.7090	0.000	1	110.5717	0.765	19	110.2322	0.621	287	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){2|C<3>,4|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	110.3745	0.889	8	110.5717	0.765	19	110.2322	0.621	287	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){3|C<3>,3|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	110.8850	1.031	7	110.5717	0.765	19	110.2322	0.621	287	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]I)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|I<1>,2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]I){2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|I<1>,2|C<3>}	109.2676	1.815	5	109.2676	3.295	5	110.2322	0.621	287	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|N<2>,2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N){1|H<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(H){1|N<2>,2|C<3>}	113.0610	0.000	1	113.0610	0.000	1	110.2322	0.621	287	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N){2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|N<3>,2|C<3>}	110.3683	0.543	8	110.3683	0.295	8	110.2322	0.621	287	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5])	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5]){2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|N<3>,2|C<3>}	109.3720	0.000	1	109.3720	0.000	1	110.2322	0.621	287	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a]){2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|N<3>,2|C<3>}	109.9800	0.218	5	109.9800	0.047	5	110.2322	0.621	287	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[6])	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[6]){1|H<1>,2|C<4>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(H){1|N<3>,2|C<3>}	110.2420	0.000	1	110.2420	0.000	1	110.2322	0.621	287	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]O)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|O<2>,2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]O){1|H<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(H){1|C<4>,1|O<2>,3|C<3>}	110.6377	0.135	4	110.6377	0.018	4	110.2322	0.621	287	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]P)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|P<4>,2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]P){2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|P<4>,2|C<3>}	110.9300	0.000	1	110.9300	0.000	1	110.2322	0.621	287	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|S<2>,2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S){1|H<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(H){1|S<2>,2|C<3>}	109.7500	0.000	1	109.7500	0.000	1	110.2322	0.621	287	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]S)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){2|C<3>,2|H<1>,2|S<2>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]S)(H){1|S<2>,2|C<3>}	113.6115	3.805	2	113.6115	14.478	2	110.2322	0.621	287	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]Si)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|Si<4>,2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]Si){1|H<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(H){1|Si<4>,1|C<4>,3|C<3>}	109.9075	0.388	2	109.9075	0.151	2	110.2322	0.621	287	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){2|H<1>,4|C<3>}	S[5a](C[5a]C[5a]C[6a])2{1|H<1>,5|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(H){3|C<3>}	110.6030	0.000	1	110.6030	0.000	1	110.2322	0.621	287	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])2{1|C<4>,1|H<1>,4|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(H){1|Fe<10>,2|C<4>,3|C<3>}	109.7105	0.120	2	109.7105	0.014	2	110.2322	0.621	287	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<2>,2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])2{2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){3|C<3>}	110.3600	0.122	4	110.0262	0.534	66	110.2322	0.621	287	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])2{2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){3|C<3>}	111.4990	0.593	2	110.0262	0.534	66	110.2322	0.621	287	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|H<1>,2|F<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])2{2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){3|C<3>}	109.8379	1.332	8	110.0262	0.534	66	110.2322	0.621	287	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){1|N<2>,2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]C[6a])2{2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){3|C<3>}	109.9935	0.397	2	110.0262	0.534	66	110.2322	0.621	287	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){3|C<3>,3|H<1>}	S[5a](C[5a]C[5a]C[6a])2{1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){3|C<3>}	110.1455	0.302	2	110.0262	0.534	66	110.2322	0.621	287	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(S[5a]C[5a]){3|C<3>,3|H<1>}	S[5a](C[5a]C[5a]C[6a])2{2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){3|C<3>}	109.9648	0.590	48	110.0262	0.534	66	110.2322	0.621	287	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(S[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N){2|H<1>,2|N<2>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|N<3>,2|N<2>}	110.6720	0.000	1	110.6720	0.000	1	110.2322	0.621	287	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:N[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]2)(S[5a]C[5a]){1|N<2>,2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a]){2|H<1>,4|C<3>}	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(H){3|C<3>}	112.5022	0.418	6	112.5022	0.175	6	112.6004	0.357	17	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:N[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2)	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]2)(S[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]C)(H){3|C<3>}	112.1090	0.240	2	112.1090	0.058	2	112.6004	0.357	17	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:N[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2)	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]2)(S[5a]C[5a]){1|N<2>,2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2){1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(H){3|C<3>}	112.5860	0.000	1	112.5860	0.000	1	112.6004	0.357	17	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:N[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]Br)	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]2)(S[5a]C[5a]){1|Br<1>,1|C<3>,1|N<2>,3|H<1>}	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]Br){2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(H){1|Br<1>,2|C<3>}	111.9680	0.000	1	111.9680	0.000	1	112.6004	0.357	17	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:N[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]2)(S[5a]C[5a]){1|N<2>,2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	114.5140	0.000	1	114.5140	0.000	1	112.6004	0.357	17	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:N[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]N[5a])2	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]2)(S[5a]C[5a]){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	S[5a](C[5a]C[5a]N[5a])2{2|H<1>,4|C<3>}	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(H){1|N<3>,2|C<3>}	112.6512	0.179	6	112.6512	0.032	6	112.6004	0.357	17	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[5,6]C[6])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[6]C[5,6]C[6])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,3|C<4>,3|H<1>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|C<4>,2|H<1>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|H<1>}	111.7060	0.000	1	111.7060	0.000	1	111.0867	0.854	22	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]2)	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,2|N<3>,3|C<3>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]2){1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H){3|C<3>}	110.8870	0.000	1	110.8870	0.000	1	111.0867	0.854	22	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]Br)	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(S[5a]C[5a]){1|Br<1>,1|H<1>,2|C<3>,2|N<3>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]Br){2|C<3>,2|H<1>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H){1|Br<1>,2|C<3>}	110.2923	0.769	3	110.2923	0.592	3	111.0867	0.854	22	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,2|H<1>,2|N<3>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	111.0840	0.116	2	111.0840	0.013	2	111.0867	0.854	22	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]I)	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,1|I<1>,2|C<3>,2|N<3>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]I){2|C<3>,2|H<1>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H){1|I<1>,2|C<3>}	110.5960	0.000	1	110.5960	0.000	1	111.0867	0.854	22	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,2|N<3>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6]){1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H){3|C<3>}	111.2580	0.000	1	111.2580	0.000	1	111.0867	0.854	22	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6,6a]C[6])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[6]C[6,6a]C[6])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,2|C<4>,3|C<3>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>}	110.4220	0.000	1	110.4220	0.000	1	111.0867	0.854	22	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]Cl)	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(S[5a]C[5a]){1|Cl<1>,1|N<2>,1|S<2>,3|H<1>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]Cl){1|C<4>,1|N<2>,2|H<1>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H){1|Cl<1>,1|C<4>,1|N<2>}	111.4540	0.812	2	111.4540	0.659	2	111.0867	0.854	22	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	110.9300	0.092	2	110.7624	0.156	7	111.0867	0.854	22	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<2>,2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>}	111.0895	0.313	2	110.7624	0.156	7	111.0867	0.854	22	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	110.5475	0.392	2	110.7624	0.156	7	111.0867	0.854	22	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<3>,2|H<1>,3|C<4>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<4>,1|N<2>,2|H<1>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,1|N<2>}	110.2030	0.000	1	110.7624	0.156	7	111.0867	0.854	22	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]N)(H)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|H<1>,1|S<2>,2|N<3>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]N)(H){1|C<3>,1|H<1>,1|N<2>}	111.5710	0.000	1	111.5710	0.000	1	111.0867	0.854	22	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|O<2>,2|H<1>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|O<2>}	114.2860	0.000	1	113.0885	2.868	2	111.0867	0.854	22	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,2|H<1>,2|S<2>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|O<2>,2|H<1>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|O<2>}	111.8910	0.000	1	113.0885	2.868	2	111.0867	0.854	22	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:Br-1:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a,5a]Br)(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a])	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[6a]S[5a])(Br)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a,5a]Br)(S[5a]C[5a,5a]){1|H<1>,1|S<2>,4|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a]){2|Br<1>,1|S<2>,3|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[6a]S[5a])(Br){4|C<3>}	110.7655	1.133	2	110.7655	1.285	2	110.7655	1.285	2	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a,5a]H)(S[5a]C[5a,5a])	S[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]C[6a])	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]S[5a])(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a,5a]H)(S[5a]C[5a,5a]){1|H<1>,1|N<2>,3|C<3>}	S[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]S[5a])(H){2|N<2>,3|C<3>}	112.5625	0.265	2	112.5625	0.070	2	112.5625	0.070	2	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]H)(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(H)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]H)(S[5a]C[5a,6a]){1|H<1>,5|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(H){1|H<1>,4|C<3>}	113.3960	0.000	1	113.3960	0.000	1	113.3960	0.000	1	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(H)	C[5a](C[6a]C[5,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(H){1|H<1>,2|C<3>}	110.2620	0.000	1	110.2620	0.000	1	110.5733	0.770	158	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[5,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<2>,2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])2{2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){3|C<3>}	109.9695	0.343	2	109.9695	0.118	2	110.5733	0.770	158	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]Br)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[5,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]Br){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|Br<1>,1|C<3>,1|N<2>}	111.2180	0.314	2	111.2180	0.099	2	110.5733	0.770	158	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[5,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	110.8400	0.000	1	110.8400	0.000	1	110.5733	0.770	158	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5a,6a]2)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[5a,6a]2)(C[5a]C[5a]H)(S[5a]C[5a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	110.5145	0.052	2	110.5145	0.003	2	110.5733	0.770	158	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5a,6a]2)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[5a,6a]2)(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,2|N<2>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])2{2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){3|C<3>}	109.6074	0.516	5	109.6074	0.266	5	110.5733	0.770	158	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5a,6a]C[5,6a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[5a,6a]C[5,6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<2>,2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	111.6180	0.995	4	111.6180	0.991	4	110.5733	0.770	158	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5a,6a]C[6,6a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[5a,6a]C[6,6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	111.6560	0.000	2	111.6560	0.000	2	110.5733	0.770	158	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,2|H<1>,2|N<2>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	109.2630	0.375	4	109.2630	0.140	4	110.5733	0.770	158	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|S<2>,2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){3|C<3>}	109.4370	0.000	1	109.4370	0.000	1	110.5733	0.770	158	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<2>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>}	109.9855	0.192	2	109.8290	0.102	4	110.5733	0.770	158	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>}	109.9640	0.000	1	109.8290	0.102	4	110.5733	0.770	158	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>}	109.3810	0.000	1	109.8290	0.102	4	110.5733	0.770	158	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(H)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(H){1|H<1>,2|C<3>}	110.1233	0.234	6	110.1233	0.055	6	110.5733	0.770	158	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	111.0560	0.000	1	110.7087	0.101	3	110.5733	0.770	158	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	110.4330	0.000	1	110.7087	0.101	3	110.5733	0.770	158	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){3|C<3>,3|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	110.6370	0.000	1	110.7087	0.101	3	110.5733	0.770	158	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N){2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|N<3>,2|C<3>}	109.9180	0.304	4	109.9180	0.093	4	110.5733	0.770	158	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]Si)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Si<4>,1|C<2>,1|H<1>,1|N<2>,2|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]Si){2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|Si<4>,2|C<3>}	109.0735	1.175	2	109.0735	1.379	2	110.5733	0.770	158	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<2>,2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])2{2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){3|C<3>}	112.9010	0.144	2	110.2507	4.309	6	110.5733	0.770	158	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])2{2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){3|C<3>}	108.9255	0.388	4	110.2507	4.309	6	110.5733	0.770	158	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|N<2>}	109.3240	0.000	1	109.3240	0.000	1	110.5733	0.770	158	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	111.7510	1.258	3	111.1588	1.837	5	110.5733	0.770	158	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	111.1510	0.000	1	111.1588	1.837	5	110.5733	0.770	158	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	109.3900	0.000	1	111.1588	1.837	5	110.5733	0.770	158	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6,6,6a]C[5a,6a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6,6,6a]C[5a,6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	109.8020	0.000	1	109.8020	0.000	1	110.5733	0.770	158	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6,6a]2)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6,6a]2)(C[5a]C[5a]H)(S[5a]C[5a]){1|S<2>,2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	112.1410	0.000	1	112.1410	0.000	1	110.5733	0.770	158	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	110.7300	0.000	1	110.9890	0.610	4	110.5733	0.770	158	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	110.7650	0.000	1	110.9890	0.610	4	110.5733	0.770	158	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	110.3370	0.000	1	110.9890	0.610	4	110.5733	0.770	158	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|O<2>,2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	112.1240	0.000	1	110.9890	0.610	4	110.5733	0.770	158	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	109.9840	0.684	2	109.9840	0.469	2	110.5733	0.770	158	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,5|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2){1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){3|C<3>}	110.3890	0.000	1	110.3890	0.000	1	110.5733	0.770	158	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,4|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>}	109.6810	0.000	1	109.6810	0.000	1	110.5733	0.770	158	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,4|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	110.8890	0.527	8	110.8890	0.278	8	110.5733	0.770	158	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,4|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){3|C<3>}	110.2280	0.000	1	110.2280	0.000	1	110.5733	0.770	158	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(H)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,4|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(H){2|C<4>,3|C<3>}	110.1850	0.069	2	110.1850	0.005	2	110.5733	0.770	158	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,4|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>}	110.2308	0.208	4	110.1018	0.116	5	110.5733	0.770	158	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,4|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){3|C<3>}	109.5860	0.000	1	110.1018	0.116	5	110.5733	0.770	158	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){3|C<3>,3|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	110.2023	0.964	7	110.2023	0.929	7	110.5733	0.770	158	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|N<2>}	110.2875	0.243	2	110.2875	0.059	2	110.5733	0.770	158	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	110.1445	0.062	2	110.2103	0.015	3	110.5733	0.770	158	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	110.3420	0.000	1	110.2103	0.015	3	110.5733	0.770	158	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|N<2>,2|C<3>}	110.9110	0.346	3	110.9110	0.120	3	110.5733	0.770	158	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]Br)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]Br){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(H){1|Br<1>,1|C<3>,1|N<2>}	110.7293	0.435	4	110.7293	0.189	4	110.5733	0.770	158	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]Br)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]Br){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|Br<1>,1|C<3>,1|N<2>}	110.8905	0.447	4	110.8905	0.199	4	110.5733	0.770	158	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<2>,1|F<1>,1|H<1>,2|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|C<2>,1|C<3>,1|N<2>}	111.4300	0.000	1	111.1970	0.109	2	110.5733	0.770	158	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|N<2>,2|C<3>}	110.9640	0.000	1	111.1970	0.109	2	110.5733	0.770	158	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6]){1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|N<2>,2|C<3>}	110.8140	0.000	1	110.8140	0.000	1	110.5733	0.770	158	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]Cl)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]Cl){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|Cl<1>,1|C<3>,1|N<2>}	111.2463	0.246	6	111.2031	0.064	7	110.5733	0.770	158	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]Cl)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Cl<1>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]Cl){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|Cl<1>,1|C<3>,1|N<2>}	110.9440	0.000	1	111.2031	0.064	7	110.5733	0.770	158	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<2>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	111.0980	0.000	1	110.8907	0.550	31	110.5733	0.770	158	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|N<2>,3|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	110.4232	0.343	5	110.8907	0.550	31	110.5733	0.770	158	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	109.8890	0.000	1	110.8907	0.550	31	110.5733	0.770	158	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	110.7725	0.590	12	110.8907	0.550	31	110.5733	0.770	158	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	111.5385	0.880	8	110.8907	0.550	31	110.5733	0.770	158	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	110.7325	0.581	4	110.8907	0.550	31	110.5733	0.770	158	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]I)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|I<1>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]I){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|I<1>,1|N<2>}	110.6900	0.000	1	110.6900	0.000	1	110.5733	0.770	158	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]O)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<2>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]O){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|N<2>,1|O<2>}	109.4670	0.000	1	110.2897	0.515	3	110.5733	0.770	158	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]O)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]O){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|N<2>,1|O<2>}	110.7010	0.124	2	110.2897	0.515	3	110.5733	0.770	158	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]C[6a])2{1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|N<2>,2|C<3>}	111.1050	0.000	1	110.8137	0.183	8	110.5733	0.770	158	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])2{1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|N<2>,2|C<3>}	109.8950	0.000	1	110.8137	0.183	8	110.5733	0.770	158	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])2{2|C<3>,2|H<1>,2|N<2>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|N<2>,2|C<3>}	110.9183	0.238	6	110.8137	0.183	8	110.5733	0.770	158	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]O[6a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]O[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,1|O<2>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|O<2>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(H){1|O<2>,2|C<3>}	111.8400	0.000	1	111.8400	0.000	1	110.5733	0.770	158	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:I-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]I)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]I)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(I)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]I)(S[5a]C[5a]){1|I<1>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]I){1|C<3>,1|H<1>,1|I<1>,1|N<2>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(I){1|C<3>,1|I<1>,1|N<2>}	109.4390	0.000	1	109.4390	0.000	1	109.4390	0.000	1	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	N[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]2)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](N[5a]C[5a,6a]2)(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,4|C<3>}	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	115.5825	1.650	2	115.5825	2.721	2	112.4720	2.101	17	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	N[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]2)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]N[5a])2	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](N[5a]C[5a,6a]2)(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,1|N<3>,4|C<3>}	S[5a](C[5a]C[5a]N[5a])2{2|H<1>,4|C<3>}	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(H){1|N<3>,2|C<3>}	112.6045	0.170	2	112.6045	0.029	2	112.4720	2.101	17	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	N[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]C[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](N[5a]C[5a,6a]C[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>}	111.0288	0.643	4	111.0288	0.413	4	112.4720	2.101	17	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	N[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]C[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]P)	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](N[5a]C[5a,6a]C[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|P<4>,2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]P){2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(H){1|P<4>,2|C<3>}	112.0413	0.268	3	112.0413	0.072	3	112.4720	2.101	17	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	N[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]Br)	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](N[5a]C[5a,6a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]Br){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(H){1|Br<1>,1|C<3>,1|N<2>}	112.7010	0.000	1	112.7010	0.000	1	112.4720	2.101	17	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	N[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](N[5a]C[5a,6a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	112.4200	0.000	1	112.4200	0.000	1	112.4720	2.101	17	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	N[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]I)	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](N[5a]C[5a,6a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,1|I<1>,1|N<2>,2|C<3>}	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]I){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|I<1>,1|N<2>}	112.6793	0.699	3	112.6793	0.488	3	112.4720	2.101	17	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	N[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]B)	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(H)	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|B<3>,1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]B){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(H){1|B<3>,1|C<3>,1|N<2>}	112.2520	0.000	1	112.2520	0.000	1	112.4720	2.101	17	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	N[6]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[6]C[6,6a]2)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]N[6])2	C[5a](C[5a]S[5a]N[6])(C[5a]C[5a]H)(H)	C[5a](N[6]C[6,6a]2)(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,1|N<3>,4|C<3>}	S[5a](C[5a]C[5a]N[6])2{2|H<1>,4|C<3>}	C[5a](C[5a]S[5a]N[6])(C[5a]C[5a]H)(H){1|N<3>,2|C<3>}	111.7390	0.321	2	111.7390	0.103	2	111.7390	0.103	2	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	Si-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](SiC[6a]Si[5])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]H)	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]H)(H)	C[5a](SiC[6a]Si[5])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>}	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]H)(H){1|H<1>}	108.4560	0.000	1	108.4560	0.000	1	108.5797	0.047	3	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	Si-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](SiC[6a]Si[5])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]Si)2	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]H)(H)	C[5a](SiC[6a]Si[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|Si<3>,1|H<1>}	S[5a](C[5a]C[5a]Si)2{2|H<1>}	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]H)(H){1|Si<3>}	108.6415	0.265	2	108.6415	0.070	2	108.5797	0.047	3	110.5435	1.390	1273	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5,5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5,5a]S[5a])(S[5a]C[5a])	S[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]C[5])	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5,5a]S[5a])(S[5a]C[5a])	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5,5a]S[5a])(S[5a]C[5a]){2|H<1>,3|C<3>,3|C<4>}	S[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]C[5]){1|Si<2>,1|S<2>,2|C<3>,2|C<4>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5,5a]S[5a])(S[5a]C[5a]){2|H<1>,3|C<3>,3|C<4>}	119.6520	0.000	1	119.6520	0.000	1	119.9950	0.235	2	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5,5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5,5a]S[5a])(S[5a]C[5a])	S[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]H)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5,5a]S[5a])(S[5a]C[5a])	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>}	S[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]H){1|S<2>,3|C<3>}	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>}	120.3380	0.000	1	120.3380	0.000	1	119.9950	0.235	2	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S-2:	C[5a](C[5]Se[5]C[5])(C[5a]C[5a]S)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])2	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]S)(SS)	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>}	S[5a](C[5a]C[5a]C[5])2{2|Se<2>,2|C<3>,2|S<2>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]S)(SS){1|Se<2>,2|C<3>}	109.7720	0.233	2	109.7720	0.054	2	109.7720	0.054	2	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[5a,6]S[5a])(S[5a]C[5a])	S[5a](C[5a]C[5a,6]C[5a])(C[5a]C[5a,6]Br)	C[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[5a,6]S[5a])(S[5a]C[5a])	C[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[5a,6]S[5a])(S[5a]C[5a]){1|Br<1>,1|C<4>,2|C<3>,2|O<2>}	S[5a](C[5a]C[5a,6]C[5a])(C[5a]C[5a,6]Br){1|C<3>,1|S<2>,2|O<2>}	C[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[5a,6]S[5a])(S[5a]C[5a]){1|Br<1>,1|C<4>,2|C<3>,2|O<2>}	122.0460	0.000	1	122.0460	0.000	1	122.4060	0.259	2	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[5a,6]S[5a])(S[5a]C[5a])	S[5a](C[5a]C[5a,6]C[5a])(C[5a]C[5a,6]S)	C[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[5a,6]S[5a])(S[5a]C[5a])	C[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[5a,6]S[5a])(S[5a]C[5a]){1|C<4>,1|S<2>,2|C<3>,2|O<2>}	S[5a](C[5a]C[5a,6]C[5a])(C[5a]C[5a,6]S){1|C<3>,1|S<2>,2|O<2>}	C[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[5a,6]S[5a])(S[5a]C[5a]){1|C<4>,1|S<2>,2|C<3>,2|O<2>}	122.7660	0.000	1	122.7660	0.000	1	122.4060	0.259	2	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5,5a]H)(S[5a]C[5,5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5,5a]H)(S[5a]C[5,5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5,5a]H)(S[5a]C[5,5a]){1|C<4>,1|H<1>,3|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]2){1|C<4>,1|H<1>,2|C<3>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5,5a]H)(S[5a]C[5,5a]){1|C<4>,1|H<1>,3|C<3>}	119.4680	0.000	1	119.9140	0.398	2	119.5815	0.184	6	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5,5a]H)(S[5a]C[5,5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5,5a]H)(S[5a]C[5,5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5,5a]H)(S[5a]C[5,5a]){1|Si<4>,1|H<1>,3|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]2){1|Si<4>,1|H<1>,2|C<3>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5,5a]H)(S[5a]C[5,5a]){1|Si<4>,1|H<1>,3|C<3>}	120.3600	0.000	1	119.9140	0.398	2	119.5815	0.184	6	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5,5a]H)(S[5a]C[5,5a])	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5,5a]H)(S[5a]C[5,5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5,5a]H)(S[5a]C[5,5a]){1|H<1>,1|N<3>,3|C<3>}	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]2){1|H<1>,1|N<3>,1|O<1>,1|S<2>,2|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5,5a]H)(S[5a]C[5,5a]){1|H<1>,1|N<3>,3|C<3>}	119.5785	0.281	2	119.4153	0.064	4	119.5815	0.184	6	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5,5a]H)(S[5a]C[5,5a])	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5,5a]H)(S[5a]C[5,5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5,5a]H)(S[5a]C[5,5a]){1|H<1>,1|N<3>,3|C<3>}	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]2){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5,5a]H)(S[5a]C[5,5a]){1|H<1>,1|N<3>,3|C<3>}	119.3110	0.000	1	119.4153	0.064	4	119.5815	0.184	6	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5,5a]H)(S[5a]C[5,5a])	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5,5a]H)(S[5a]C[5,5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5,5a]H)(S[5a]C[5,5a]){1|H<1>,4|C<3>}	S[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]2){1|H<1>,1|S<2>,4|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5,5a]H)(S[5a]C[5,5a]){1|H<1>,4|C<3>}	119.1930	0.000	1	119.4153	0.064	4	119.5815	0.184	6	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,5a]S)(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]S[5a])(SPd)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,5a]S)(S[5a]C[5a,5a]){1|S<2>,1|S<3>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2){1|H<1>,2|C<3>,3|S<2>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]S[5a])(SPd){1|S<2>,3|C<3>}	112.7560	0.000	1	112.7560	0.000	1	112.7560	0.000	1	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,5a]H)(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,5a]H)(S[5a]C[5a,5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,5a]H)(S[5a]C[5a,5a]){1|H<1>,1|S<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]2)(C[5a]C[5a]2){1|H<1>,2|C<3>,3|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,5a]H)(S[5a]C[5a,5a]){1|H<1>,1|S<2>,3|C<3>}	119.7570	0.000	1	119.7570	0.000	1	119.2610	0.492	2	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,5a]H)(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,5a]H)(S[5a]C[5a,5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,5a]H)(S[5a]C[5a,5a]){1|H<1>,1|O<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,5a]H)(S[5a]C[5a,5a]){1|H<1>,1|O<2>,3|C<3>}	118.7650	0.000	1	118.7650	0.000	1	119.2610	0.492	2	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,6,6]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a,6,6]H)(C[5a]C[5a]S[5a])(S[5a]C[5a,6,6])	S[5a](C[5a,6,6]C[5a,6,6]C[3x6])(C[5a]C[5a]2)	C[5a](C[5a]C[5a,6,6]H)(C[5a]C[5a]S[5a])(S[5a]C[5a,6,6])	C[5a](C[5a]C[5a,6,6]H)(C[5a]C[5a]S[5a])(S[5a]C[5a,6,6]){1|H<1>,2|C<3>,2|C<4>}	S[5a](C[5a,6,6]C[5a,6,6]C[3x6])(C[5a]C[5a]2){1|C<3>,1|S<2>,2|H<1>,3|C<4>}	C[5a](C[5a]C[5a,6,6]H)(C[5a]C[5a]S[5a])(S[5a]C[5a,6,6]){1|H<1>,2|C<3>,2|C<4>}	120.0380	0.000	1	120.0380	0.000	1	120.0380	0.000	1	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:N-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,6a]N)(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(NC)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,6a]N)(S[5a]C[5a,6a]){1|N<2>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(NC){1|H<1>,1|S<2>,3|C<3>}	113.3320	0.000	1	113.3320	0.000	1	112.3800	0.515	4	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:N-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,6a]N)(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(NC[6a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,6a]N)(S[5a]C[5a,6a]){1|N<2>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(NC[6a]){1|H<1>,1|S<2>,3|C<3>}	112.0627	0.410	3	112.0627	0.168	3	112.3800	0.515	4	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,6a]N)(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,6a]N)(S[5a]C[5a,6a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,6a]N)(S[5a]C[5a,6a]){1|N<2>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,6a]N)(S[5a]C[5a,6a]){1|N<2>,4|C<3>}	122.0970	1.444	2	120.0050	14.172	3	120.0050	14.172	3	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,6a]N)(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,6a]N)(S[5a]C[5a,6a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,6a]N)(S[5a]C[5a,6a]){1|N<3>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,6a]N)(S[5a]C[5a,6a]){1|N<3>,4|C<3>}	115.8210	0.000	1	120.0050	14.172	3	120.0050	14.172	3	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a,6]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]O)(CN)	C[5a](C[5a]C[5a,6]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|H<1>,2|C<3>,2|O<2>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<2>,1|C<3>,1|O<2>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]O)(CN){1|C<3>,1|H<1>,1|S<2>}	109.6890	0.000	1	109.6890	0.000	1	110.0632	0.226	13	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CC)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|C<2>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<2>,1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CC){1|C<3>,1|H<1>,1|S<2>}	109.8820	0.000	1	110.3790	0.107	7	110.0632	0.226	13	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CC)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<2>,1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CC){1|C<3>,1|H<1>,1|S<2>}	110.4618	0.266	6	110.3790	0.107	7	110.0632	0.226	13	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CN)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|C<2>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<2>,1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CN){1|C<3>,1|H<1>,1|S<2>}	109.0980	0.000	1	109.0980	0.000	1	110.0632	0.226	13	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]O)(CN)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<2>,1|C<3>,1|O<2>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]O)(CN){1|C<3>,1|H<1>,1|S<2>}	109.8230	0.000	1	109.8452	0.036	4	110.0632	0.226	13	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]O)(CN)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|H<1>,2|C<3>,2|O<2>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<2>,1|C<3>,1|O<2>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]O)(CN){1|C<3>,1|H<1>,1|S<2>}	109.6110	0.000	1	109.8452	0.036	4	110.0632	0.226	13	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]O)(CN)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<2>,1|C<3>,1|O<2>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]O)(CN){1|C<3>,1|H<1>,1|S<2>}	109.9735	0.136	2	109.8452	0.036	4	110.0632	0.226	13	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]N[5a]H)	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]S[5a])(N[5a]C[5a])	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]N[5a]H){3|C<3>}	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]S[5a])(N[5a]C[5a]){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	108.6400	0.723	2	108.6400	0.522	2	108.9930	0.192	6	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]N[5a]N)	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]S[5a])(N[5a]C[5a])	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(S[5a]C[5a]){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]N[5a]N){1|S<2>,2|C<3>}	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]S[5a])(N[5a]C[5a]){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	109.2130	0.000	1	109.2130	0.000	1	108.9930	0.192	6	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]N[5a])2(S[5a]C[5a])	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(N[5a]C[5a])	C[5a](C[5a]C[5a]N[5a])2(S[5a]C[5a]){1|C<4>,1|N<2>,1|S<2>,3|C<3>}	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2){1|N<2>,4|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(N[5a]C[5a]){1|N<2>,1|S<2>,4|C<3>}	109.1550	0.177	3	109.1550	0.031	3	108.9930	0.192	6	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]O)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(OC)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]O)(S[5a]C[5a]){1|H<1>,2|C<2>,2|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<2>,1|C<3>,1|O<2>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(OC){1|C<3>,1|H<1>,1|S<2>}	109.8230	0.000	1	109.8230	0.000	1	109.4004	0.233	5	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]O)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(OC)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]O)(S[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|O<2>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(OC){1|C<3>,1|H<1>,1|S<2>}	109.4180	0.000	1	109.4180	0.000	1	109.4004	0.233	5	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]O)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(OC[6a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]O)(S[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|O<2>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(OC[6a]){1|C<3>,1|H<1>,1|S<2>}	109.2160	0.000	1	109.2160	0.000	1	109.4004	0.233	5	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]O)(S[5a]C[5a])	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(OC)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]O)(S[5a]C[5a]){1|Br<1>,1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2){1|C<3>,1|H<1>,1|O<2>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(OC){1|Br<1>,1|C<3>,1|S<2>}	108.6870	0.000	1	108.6870	0.000	1	109.4004	0.233	5	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O-2:	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]O)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(OC)	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]O)(S[5a]C[5a]){1|B<4>,2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	109.8580	0.000	1	109.8580	0.000	1	109.4004	0.233	5	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a,6]S[5a])(C[5a]C[5a]S)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(SC)	C[5a](C[5a]C[5a,6]S[5a])(C[5a]C[5a]S)(S[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(SC){1|C<3>,1|H<1>,1|S<2>}	110.0390	0.000	1	110.0390	0.000	1	110.5008	0.259	13	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]S)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(SC[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]S)(S[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(SC[5a]){1|C<3>,1|H<1>,1|S<2>}	110.4045	0.270	4	110.4045	0.073	4	110.5008	0.259	13	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]S)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]S)(SAu)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]S)(S[5a]C[5a]){1|H<1>,1|S<2>,3|C<3>}	S[5a](C[5a]C[5a]2)2{2|C<3>,4|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]S)(SAu){1|S<2>,2|C<3>}	111.0740	0.365	4	111.0740	0.133	4	110.5008	0.259	13	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]S)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]S)(SC)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]S)(S[5a]C[5a]){1|H<1>,1|S<2>,3|C<3>}	S[5a](C[5a]C[5a]2)2{2|C<3>,4|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]S)(SC){1|S<2>,2|C<3>}	109.9615	0.145	2	109.9615	0.021	2	110.5008	0.259	13	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]S)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]S)(SS)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]S)(S[5a]C[5a]){1|H<1>,1|S<2>,3|C<3>}	S[5a](C[5a]C[5a]2)2{2|C<3>,4|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]S)(SS){1|S<2>,2|C<3>}	110.3170	0.501	2	110.3170	0.251	2	110.5008	0.259	13	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Br)(S[5a]C[5a])	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Br)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Br)(S[5a]C[5a]){2|Br<1>,1|H<1>,2|C<3>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2){1|Br<1>,1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Br)(S[5a]C[5a]){2|Br<1>,1|H<1>,2|C<3>}	119.8160	0.000	1	119.8160	0.000	1	121.7023	5.216	85	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Br)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Br)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Br)(S[5a]C[5a]){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]2){1|Br<1>,1|C<3>,1|S<2>,2|H<1>,2|O<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Br)(S[5a]C[5a]){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	121.0010	0.000	1	121.0010	0.000	1	121.7023	5.216	85	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Br)(S[5a]C[5a])	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Br)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Br)(S[5a]C[5a]){1|Br<1>,1|Si<4>,1|H<1>,2|C<3>}	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]2){1|Br<1>,1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Br)(S[5a]C[5a]){1|Br<1>,1|Si<4>,1|H<1>,2|C<3>}	121.1520	0.928	2	121.1520	0.861	2	121.7023	5.216	85	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<2>,1|C<3>,1|O<2>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	121.3980	0.000	1	121.4050	0.055	3	121.7023	5.216	85	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|C<2>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<2>,1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|C<2>,2|C<3>,2|H<1>}	121.4085	0.332	2	121.4050	0.055	3	121.7023	5.216	85	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Cl)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Cl)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Cl)(S[5a]C[5a]){2|Cl<1>,1|H<1>,2|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){2|Cl<1>,1|C<3>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Cl)(S[5a]C[5a]){2|Cl<1>,1|H<1>,2|C<3>}	121.4600	0.000	1	121.4600	0.000	1	121.7023	5.216	85	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Ge)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Ge)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Ge)(S[5a]C[5a]){1|Ge<4>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|Ge<4>,1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Ge)(S[5a]C[5a]){1|Ge<4>,2|C<3>,2|H<1>}	119.9810	0.368	2	119.9810	0.135	2	121.7023	5.216	85	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]B[5a]C[5a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|B<3>,2|C<3>,2|H<1>}	S[5a](C[5a]B[5a]C[5a])(C[5a]C[5a]2){1|C<3>,1|S<2>,2|H<1>,2|N<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|B<3>,2|C<3>,2|H<1>}	120.7780	0.000	1	120.7780	0.000	1	121.7023	5.216	85	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]B)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|B<3>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]B){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|B<3>,2|C<3>,2|H<1>}	120.5350	0.000	1	120.8405	0.187	2	121.7023	5.216	85	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]B)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|B<4>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]B){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|B<4>,2|C<3>,2|H<1>}	121.1460	0.000	1	120.8405	0.187	2	121.7023	5.216	85	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<2>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<2>,2|C<3>,2|H<1>}	120.1560	0.461	2	120.3478	0.159	5	121.7023	5.216	85	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	120.5990	0.000	1	120.3478	0.159	5	121.7023	5.216	85	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	120.4140	0.526	2	120.3478	0.159	5	121.7023	5.216	85	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	120.4510	0.000	1	121.0799	0.281	13	121.7023	5.216	85	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	121.1323	0.517	12	121.0799	0.281	13	121.7023	5.216	85	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]P)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|P<4>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]P){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|P<4>,2|C<3>,2|H<1>}	120.3330	0.309	4	120.3330	0.095	4	121.7023	5.216	85	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]S)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]S){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	119.8580	0.000	1	119.8580	0.000	1	121.7023	5.216	85	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|B<3>,1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)2{1|B<3>,1|H<1>,2|C<3>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|B<3>,1|H<1>,3|C<3>}	120.5410	0.000	1	120.3496	0.086	12	121.7023	5.216	85	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|B<4>,1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)2{1|B<4>,1|H<1>,2|C<3>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|B<4>,1|H<1>,3|C<3>}	120.7620	0.000	1	120.3496	0.086	12	121.7023	5.216	85	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)2{1|C<4>,1|H<1>,2|C<3>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	120.3100	0.000	1	120.3496	0.086	12	121.7023	5.216	85	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)2{1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	120.6360	0.000	1	120.3496	0.086	12	121.7023	5.216	85	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)2{2|C<3>,2|H<1>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	120.2433	0.284	8	120.3496	0.086	12	121.7023	5.216	85	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]B[5])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|B<4>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]B[5])(C[5a]C[5a]2){1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|B<4>,2|C<3>,2|H<1>}	120.7300	0.000	1	120.7300	0.000	1	121.7023	5.216	85	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]2){1|C<3>,1|S<2>,2|H<1>,2|N<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	119.9515	0.080	2	120.4657	0.796	3	121.7023	5.216	85	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]2){1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	121.4940	0.000	1	120.4657	0.796	3	121.7023	5.216	85	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]2){1|S<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	119.8870	0.000	1	120.2785	0.307	2	121.7023	5.216	85	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Pd<4>,1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]2){1|Pd<4>,1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Pd<4>,1|H<1>,3|C<3>}	120.6700	0.000	1	120.2785	0.307	2	121.7023	5.216	85	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2){1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	120.4344	0.632	5	120.4344	0.400	5	121.7023	5.216	85	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]Ge)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Ge<4>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]Ge)(C[5a]C[5a]2){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Ge<4>,2|C<3>,2|H<1>}	120.9350	0.000	1	120.9350	0.000	1	121.7023	5.216	85	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2){1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	119.3430	0.000	1	119.3430	0.000	1	121.7023	5.216	85	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]Pd)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Pd<4>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]Pd)(C[5a]C[5a]2){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Pd<4>,2|C<3>,2|H<1>}	121.6350	0.000	1	121.6350	0.000	1	121.7023	5.216	85	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Si<4>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]2){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Si<4>,2|C<3>,2|H<1>}	120.8280	0.000	1	120.8280	0.000	1	121.7023	5.216	85	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]O)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]O)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]O)(S[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|O<2>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]O)(S[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	122.3785	0.004	2	122.3785	0.000	2	121.7023	5.216	85	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]Br)(S[5a]C[5a])	S[5a](C[5a]N[5a]Si)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]Br)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]Br)(S[5a]C[5a]){1|Br<1>,1|Si<4>,1|C<3>,1|N<2>}	S[5a](C[5a]N[5a]Si)(C[5a]C[5a]2){1|Br<1>,1|C<3>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]Br)(S[5a]C[5a]){1|Br<1>,1|Si<4>,1|C<3>,1|N<2>}	123.1340	0.000	1	123.1340	0.000	1	121.7023	5.216	85	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]N[5a]N)	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]H)(S[5a]C[5a]){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	S[5a](C[5a]C[5a]2)(C[5a]N[5a]N){1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]H)(S[5a]C[5a]){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	120.4720	0.075	2	120.4720	0.006	2	121.7023	5.216	85	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]H)(S[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]H)(S[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	122.8070	2.498	2	122.8070	6.238	2	121.7023	5.216	85	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]O)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]N[5a]S)	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]O)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]O)(S[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|S<1>}	S[5a](C[5a]C[5a]2)(C[5a]N[5a]S){1|C<3>,1|C<4>,1|O<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]O)(S[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|S<1>}	127.0112	0.571	9	127.0541	0.308	10	121.7023	5.216	85	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]O)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]N[5a]S)	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]O)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]O)(S[5a]C[5a]){1|N<3>,1|O<1>,1|S<1>,2|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]N[5a]S){1|O<1>,1|S<2>,2|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]O)(S[5a]C[5a]){1|N<3>,1|O<1>,1|S<1>,2|C<3>}	127.4400	0.000	1	127.0541	0.308	10	121.7023	5.216	85	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]S)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]N[5a]O)	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]S)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]S)(S[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|S<1>}	S[5a](C[5a]C[5a]2)(C[5a]N[5a]O){1|C<3>,1|C<4>,1|S<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]S)(S[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|S<1>}	124.7800	0.305	4	124.7800	0.093	4	121.7023	5.216	85	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]S[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]S[5a]O)	C[5a](C[5a]C[5a]S[5a])(C[5a]S[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]S[5a]H)(S[5a]C[5a]){1|C<3>,1|H<1>,1|O<1>,1|S<2>}	S[5a](C[5a]C[5a]2)(C[5a]S[5a]O){1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]S[5a]H)(S[5a]C[5a]){1|C<3>,1|H<1>,1|O<1>,1|S<2>}	120.6070	0.000	1	120.6070	0.000	1	121.7023	5.216	85	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[6a]N[5a])(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]N[5a]N)	C[5a](C[5a]C[5a]S[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[6a]N[5a])(S[5a]C[5a]){1|H<1>,1|N<3>,4|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]N[5a]N){1|S<2>,2|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,1|S<2>,2|H<1>,3|C<3>}	109.0270	0.000	1	109.0270	0.000	1	108.8370	0.029	3	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[6a]N[5a])(S[5a]C[5a])	S[5a](C[5a]N[5a]N[6])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[6a]N[5a])(S[5a]C[5a]){1|H<1>,1|N<3>,4|C<3>}	S[5a](C[5a]N[5a]N[6])(C[5a]C[5a]2){1|S<2>,2|C<3>,2|C<4>}	C[5a](C[5a]C[5a]S[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,1|S<2>,2|H<1>,3|C<3>}	108.7420	0.058	2	108.7420	0.003	2	108.8370	0.029	3	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[6a]S[5a])(N[5a]C[5a])	C[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(S[5a]C[5a]){2|O<2>,5|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){5|C<3>}	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[6a]S[5a])(N[5a]C[5a]){1|H<1>,1|S<2>,5|C<3>}	108.9083	0.289	3	108.9083	0.083	3	108.9083	0.083	3	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(OC)	C[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<2>,2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<2>,1|O<2>,2|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(OC){3|C<3>}	110.7860	0.178	2	110.7860	0.032	2	110.7860	0.032	2	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])(SS)	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|S<2>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])(SS){1|C<4>,4|C<3>}	110.0770	0.709	2	110.0770	0.502	2	110.4232	0.250	5	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S-2:	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]S)(SS)	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(S[5a]C[5a]){1|S<2>,2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])2{2|S<2>,4|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]S)(SS){3|C<3>}	110.6540	0.221	3	110.6540	0.049	3	110.4232	0.250	5	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)	C[5a](C[5a]C[6a]S[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(S[5a]C[5a]){1|N<2>,2|H<1>,4|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N){3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<2>,2|H<1>,4|C<3>}	109.9700	0.000	1	109.9700	0.000	1	109.9700	0.000	1	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a](C[5a]C[6a]S[5a])(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]O)	C[5a](C[5a]C[6a]S[5a])(C[6a]C[6a]2)(S[5a]C[5a])	C[5a](C[5a]C[6a]S[5a])(C[6a]C[6a]2)(S[5a]C[5a]){1|O<1>,2|H<1>,4|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]O){3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[6a]C[6a]2)(S[5a]C[5a]){1|O<1>,2|H<1>,4|C<3>}	116.6595	1.247	2	116.6595	1.554	2	116.6595	1.554	2	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:N-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(NC[3x6]C[6a])(S[5a]C[5a])	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)	C[5a](C[5a]S[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(NC[3x6]C[6a])(S[5a]C[5a]){3|C<3>}	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N){3|C<3>}	C[5a](C[5a]S[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	109.1020	0.000	1	109.1020	0.000	1	109.1020	0.000	1	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:N[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]N[5a])(S[5a]C[5a])	S[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)	C[5a](C[5a]N[5a]S[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]N[5a])(S[5a]C[5a]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	S[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N){1|N<2>,2|C<3>}	C[5a](C[5a]N[5a]S[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	111.1510	0.000	1	111.7477	0.222	4	111.7477	0.222	4	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:N[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]N[5a])(S[5a]C[5a])	S[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)	C[5a](C[5a]N[5a]S[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]N[5a])(S[5a]C[5a]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	S[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N){1|N<2>,2|C<3>}	C[5a](C[5a]N[5a]S[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	112.2920	0.000	1	111.7477	0.222	4	111.7477	0.222	4	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:N[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]N[5a])(S[5a]C[5a])	S[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)	C[5a](C[5a]N[5a]S[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]N[5a])(S[5a]C[5a]){1|H<1>,2|N<2>,3|C<3>}	S[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N){1|N<2>,2|C<3>}	C[5a](C[5a]N[5a]S[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,2|N<2>,3|C<3>}	111.7740	0.109	2	111.7477	0.222	4	111.7477	0.222	4	117.1203	33.269	166	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:B-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(BC[5a]C[5])(S[5a]C[5a])	S[5a](C[5a]C[5a]B)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]B)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(BC[5a]C[5])(S[5a]C[5a]){2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]B)(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]B)(C[6a]C[6a]2){2|H<1>,3|C<3>}	110.1255	0.303	2	110.1255	0.092	2	110.1255	0.092	2	111.0771	0.890	128	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,5a]C)(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]S[5a])(COO)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,5a]C)(S[5a]C[5a,5a]){1|H<1>,1|S<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2){2|S<2>,4|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]S[5a])(COO){1|S<2>,3|C<3>}	111.7280	0.000	1	111.7280	0.000	1	111.7280	0.000	1	111.0771	0.890	128	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:S-3:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,5a]S)(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]S[5a])(SPd2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,5a]S)(S[5a]C[5a,5a]){2|S<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2){1|H<1>,1|S<3>,2|C<3>,2|S<2>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]S[5a])(SPd2){1|S<2>,3|C<3>}	112.3810	0.000	1	112.3810	0.000	1	112.3810	0.000	1	111.0771	0.890	128	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a]C[5a,6a]C[5])(C[5a]C[5a]N[5a])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)	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]){1|H<1>,1|S<2>,5|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2){1|H<1>,1|N<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]C[5]2){1|C<4>,1|N<2>,1|O<1>,1|S<2>,2|H<1>,3|C<3>}	112.2290	1.144	2	112.2290	1.309	2	112.2290	1.309	2	111.0771	0.890	128	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(S[5a]C[5a,6a]){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2){1|H<1>,1|N<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a]){1|H<1>,1|N<2>,1|O<2>,1|S<2>,4|C<3>}	112.7110	0.000	1	112.7110	0.000	1	112.9009	0.056	7	111.0771	0.890	128	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]S[5a])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]S[5a])	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]S[5a])(S[5a]C[5a,6a]){7|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2){1|H<1>,1|S<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]S[5a]){1|H<1>,2|S<2>,6|C<3>}	113.0832	0.086	4	113.0832	0.007	4	112.9009	0.056	7	111.0771	0.890	128	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]S[5a])(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])2	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]S[5a])(S[5a]C[5a,6a]){1|C<4>,1|S<2>,5|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2){1|H<1>,1|S<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])2{1|C<4>,1|H<1>,1|S<2>,5|C<3>}	112.6310	0.007	2	112.6310	0.000	2	112.9009	0.056	7	111.0771	0.890	128	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,6a]N)(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(NCH)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,6a]N)(S[5a]C[5a,6a]){1|N<3>,4|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(NCH){1|H<1>,1|S<2>,3|C<3>}	112.5130	0.000	1	112.5130	0.000	1	112.5130	0.000	1	111.0771	0.890	128	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:B-3:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]B)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(BC[6a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]B)(S[5a]C[5a]){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|B<3>,1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(BC[6a]2){1|C<3>,1|C<4>,1|S<2>}	111.6140	0.000	1	111.6140	0.000	1	111.5613	0.004	3	111.0771	0.890	128	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:B-3:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]B)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(BC[6a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]B)(S[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|B<3>,1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(BC[6a]2){1|C<3>,1|H<1>,1|S<2>}	111.5790	0.000	1	111.5790	0.000	1	111.5613	0.004	3	111.0771	0.890	128	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:B-3:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]B)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(BC[6a]C[5])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]B)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)2{1|B<3>,1|H<1>,2|C<3>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(BC[6a]C[5]){1|S<2>,2|C<3>}	111.4910	0.000	1	111.4910	0.000	1	111.5613	0.004	3	111.0771	0.890	128	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(COO){1|C<3>,1|H<1>,1|S<2>}	109.7600	0.000	1	109.7600	0.000	1	109.4483	0.065	4	111.0771	0.890	128	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(COP)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(COP){1|C<3>,1|H<1>,1|S<2>}	109.4440	0.071	2	109.4440	0.005	2	109.4483	0.065	4	111.0771	0.890	128	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|Br<1>,1|H<1>,1|O<2>,2|C<3>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(COO){1|Br<1>,1|C<3>,1|S<2>}	109.1450	0.000	1	109.1450	0.000	1	109.4483	0.065	4	111.0771	0.890	128	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)2(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Pt)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]2)2(S[5a]C[5a]){1|Pt<4>,1|C<4>,1|H<1>,1|S<2>,4|C<3>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]2){1|Pt<4>,1|N<3>,4|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Pt)(C[5a]C[5a]2){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	112.2343	0.400	3	112.2343	0.160	3	111.1705	0.307	54	111.0771	0.890	128	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a]){1|H<1>,6|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|S<2>,3|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]2)2{1|H<1>,2|S<2>,6|C<3>}	111.5085	0.242	4	111.5085	0.058	4	111.1705	0.307	54	111.0771	0.890	128	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])2(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a]){1|Br<1>,1|C<4>,1|H<1>,1|S<2>,3|C<3>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a]C[5a]S[5a])2(C[5a]C[5a]H){1|Br<1>,1|C<4>,1|S<2>,3|C<3>}	112.1500	0.000	1	112.1500	0.000	1	111.1705	0.307	54	111.0771	0.890	128	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a]){1|H<1>,6|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2){1|H<1>,1|S<2>,4|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(C[5a]C[5a]H){1|H<1>,2|S<2>,4|C<3>}	111.0664	0.350	5	111.0664	0.123	5	111.1705	0.307	54	111.0771	0.890	128	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]Cl)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a]){1|Cl<1>,1|H<1>,5|C<3>}	S[5a](C[5a]C[5a]Cl)(C[5a]C[5a]2){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(C[5a]C[5a]H){1|Br<1>,1|Cl<1>,1|H<1>,2|C<3>,2|S<2>}	111.5490	0.267	2	111.3816	0.068	16	111.1705	0.307	54	111.0771	0.890	128	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]Cl)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a]){1|Cl<1>,1|H<1>,5|C<3>}	S[5a](C[5a]C[5a]Cl)(C[5a]C[5a]2){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(C[5a]C[5a]H){1|Cl<1>,1|H<1>,2|S<2>,3|C<3>}	111.2094	0.234	8	111.3816	0.068	16	111.1705	0.307	54	111.0771	0.890	128	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]Cl)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a]){1|Cl<1>,1|H<1>,5|C<3>}	S[5a](C[5a]C[5a]Cl)(C[5a]C[5a]2){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(C[5a]C[5a]H){1|Cl<1>,2|C<3>,2|H<1>,2|S<2>}	111.4785	0.115	2	111.3816	0.068	16	111.1705	0.307	54	111.0771	0.890	128	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]Cl)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a]){1|Cl<1>,1|H<1>,5|C<3>}	S[5a](C[5a]C[5a]Cl)(C[5a]C[5a]2){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(C[5a]C[5a]H){2|Cl<1>,1|H<1>,2|C<3>,2|S<2>}	111.5940	0.137	4	111.3816	0.068	16	111.1705	0.307	54	111.0771	0.890	128	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a]){1|Si<4>,1|H<1>,5|C<3>}	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]2){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(C[5a]C[5a]H){1|Si<4>,1|H<1>,2|S<2>,3|C<3>}	110.7615	0.352	12	110.7921	0.119	14	111.1705	0.307	54	111.0771	0.890	128	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a]){1|Si<4>,2|H<1>,4|C<3>}	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]2){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(C[5a]C[5a]H){1|Si<4>,1|H<1>,2|S<2>,3|C<3>}	110.9760	0.317	2	110.7921	0.119	14	111.1705	0.307	54	111.0771	0.890	128	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a]){1|Si<4>,6|C<3>}	S[5a](C[5a]C[5a]Si)(C[5a]C[5a]2){1|S<2>,3|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]2)2{1|Si<4>,2|S<2>,6|C<3>}	110.3757	0.221	6	110.3757	0.049	6	111.1705	0.307	54	111.0771	0.890	128	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]S[5a])(C[5a]C[5a]2)	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]2)(S[5a]C[5a]){1|N<2>,1|S<2>,4|C<3>}	S[5a](C[5a]C[5a]2)2{2|C<3>,2|N<2>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]S[5a])(C[5a]C[5a]2){2|N<2>,2|S<2>,3|C<3>}	111.5080	0.361	5	111.5080	0.130	5	111.1705	0.307	54	111.0771	0.890	128	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S[5a])(S[5a]C[5a]){2|H<1>,5|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,1|S<2>,2|O<2>,3|C<3>}	109.8732	0.105	4	109.8732	0.011	4	111.2115	0.512	22	111.0771	0.890	128	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]O[5a])(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]O[5a])(S[5a]C[5a]){1|N<2>,2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<2>,1|O<2>,2|C<3>,3|H<1>}	111.4510	0.121	4	111.4510	0.015	4	111.2115	0.512	22	111.0771	0.890	128	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S[5a])(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S[5a])(S[5a]C[5a]){1|N<2>,2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<2>,1|S<2>,2|C<3>,3|H<1>}	111.5254	0.382	14	111.5254	0.146	14	111.2115	0.512	22	111.0771	0.890	128	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]N)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(NCC)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]N)(S[5a]C[5a]){1|B<3>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(NCC){1|C<3>,1|H<1>,1|S<2>}	110.4440	0.000	1	110.4440	0.000	1	110.4440	0.000	1	111.0771	0.890	128	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:P-3:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]P)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(PC[6a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]P)(S[5a]C[5a]){2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|P<3>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(PC[6a]2){1|C<3>,1|H<1>,1|S<2>}	111.3160	0.378	2	111.3160	0.143	2	111.3160	0.143	2	111.0771	0.890	128	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(COO)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(COO){3|C<3>}	111.1420	0.081	2	111.1420	0.006	2	110.6103	0.317	10	111.0771	0.890	128	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(S[5a]C[5a]){2|C<3>,4|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(COO){1|H<1>,2|C<3>}	109.9770	0.411	3	109.9770	0.169	3	110.6103	0.317	10	111.0771	0.890	128	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(CC[6a]O)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(S[5a]C[5a]){1|Br<1>,1|H<1>,1|N<3>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N){4|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(CC[6a]O){1|N<3>,2|C<3>}	110.7930	0.000	1	111.0283	0.043	3	110.6103	0.317	10	111.0771	0.890	128	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(CC[6a]O)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(S[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N){4|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(CC[6a]O){1|N<3>,2|C<3>}	111.1460	0.058	2	111.0283	0.043	3	110.6103	0.317	10	111.0771	0.890	128	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(CSS)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(S[5a]C[5a]){1|S<2>,2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S){4|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(CSS){1|S<2>,2|C<3>}	110.2550	0.000	1	110.2550	0.000	1	110.6103	0.317	10	111.0771	0.890	128	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(CNS)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(S[5a]C[5a]){3|C<3>,3|H<1>}	S[5a](C[5a]C[5a]C[6a])2{1|H<1>,5|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(CNS){3|C<3>}	110.5480	0.000	1	110.5480	0.000	1	110.6103	0.317	10	111.0771	0.890	128	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,1|H<1>,6|C<3>}	S[5a](C[5a]C[5a]C[6a])2{6|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	110.8150	0.000	1	110.7309	0.148	8	110.7309	0.148	8	111.0771	0.890	128	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(S[5a]C[5a]){2|H<1>,6|C<3>}	S[5a](C[5a]C[5a]C[6a])2{6|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	110.7189	0.415	7	110.7309	0.148	8	110.7309	0.148	8	111.0771	0.890	128	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(NOO)	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(NOO){3|C<3>}	109.6310	0.000	1	109.6310	0.000	1	109.3240	0.442	7	111.0771	0.890	128	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]I)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(NC[5a]C[6a])	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(S[5a]C[5a]){1|I<1>,2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]I){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(NC[5a]C[6a]){1|I<1>,2|C<3>}	110.1700	0.208	2	110.1700	0.043	2	109.3240	0.442	7	111.0771	0.890	128	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]N)(NOO)	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(S[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])2{2|N<3>,4|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]N)(NOO){3|C<3>}	108.8243	0.166	4	108.8243	0.028	4	109.3240	0.442	7	111.0771	0.890	128	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:P-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N)(PC[5a]C[6a])(S[5a]C[5a])	S[5a](C[5a]C[5a]H)(C[5a]C[5a]P)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(NC[6a]H)	C[5a](C[5a]C[5a]N)(PC[5a]C[6a])(S[5a]C[5a]){2|H<1>}	S[5a](C[5a]C[5a]H)(C[5a]C[5a]P){1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(NC[6a]H){1|H<1>}	110.0520	0.359	2	110.0520	0.129	2	110.0520	0.129	2	111.0771	0.890	128	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	N[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(COO)	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]C)(S[5a]C[5a]){2|N<2>,3|H<1>}	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(COO){1|C<3>,1|H<1>,1|N<2>}	113.5010	0.000	1	113.5010	0.000	1	113.5010	0.000	1	111.0771	0.890	128	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5]C[5,6a]C[5])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(CH3)	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>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(CH3){1|H<1>,2|C<3>}	111.2800	0.000	1	111.2800	0.000	1	111.3435	0.082	4	111.2167	0.574	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(CH3)	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>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|H<1>,1|N<2>,2|C<4>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,1|N<2>}	111.1130	0.000	1	111.1130	0.000	1	111.3435	0.082	4	111.2167	0.574	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5]C[5]S[5])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(CH3)	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>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>,1|S<4>}	111.4905	0.380	2	111.4905	0.144	2	111.3435	0.082	4	111.2167	0.574	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:P-4:	C[5a](C[5]N[5]O[5])(C[5a]C[5a]P)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(PC[6a]2Pd)	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>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|O<2>,1|P<4>}	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>}	111.9880	0.000	1	111.9880	0.000	1	111.9880	0.000	1	111.2167	0.574	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5,5a]C)(S[5a]C[5,5a])	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]2)	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]C[5a]S[5a])(CH3)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5,5a]C)(S[5a]C[5,5a]){1|H<1>,1|S<4>,3|C<3>}	S[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]2){1|C<4>,1|S<4>,2|C<3>,2|S<2>}	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]C[5a]S[5a])(CH3){1|S<2>,2|O<1>,3|C<3>}	111.7785	0.016	2	111.7785	0.000	2	111.7785	0.000	2	111.2167	0.574	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a,5a]C)(S[5a]C[5a,5a])	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]S[5a])(CCHH)	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a,5a]C)(S[5a]C[5a,5a]){1|S<2>,3|C<3>}	S[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2){1|C<3>,1|N<2>,2|C<4>,2|S<2>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]S[5a])(CCHH){1|N<2>,1|S<2>,2|C<3>}	113.0680	0.000	1	113.0680	0.000	1	113.0680	0.000	1	111.2167	0.574	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:B-4:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]B)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(BC[6a]2O)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]B)(S[5a]C[5a]){1|C<2>,1|H<1>,1|P<4>,2|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|B<4>,1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(BC[6a]2O){1|C<2>,1|C<3>,1|S<2>}	113.5280	0.082	2	113.2187	0.290	3	112.7945	0.412	6	111.2167	0.574	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:B-4:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]B)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(BC[6a]2O)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]B)(S[5a]C[5a]){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|B<4>,1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(BC[6a]2O){1|C<3>,1|C<4>,1|S<2>}	112.6000	0.000	1	113.2187	0.290	3	112.7945	0.412	6	111.2167	0.574	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:B-4:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]B)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(BC[6a]2C)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]B)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)2{1|B<4>,1|H<1>,2|C<3>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(BC[6a]2C){1|S<2>,2|C<3>}	111.9880	0.000	1	111.9880	0.000	1	112.7945	0.412	6	111.2167	0.574	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:B-4:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]B)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(BC[6a]2O)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]B)(S[5a]C[5a]){1|H<1>,1|P<4>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2){1|B<4>,1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(BC[6a]2O){1|S<2>,2|C<3>}	112.5615	0.422	2	112.5615	0.178	2	112.7945	0.412	6	111.2167	0.574	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|O<2>,2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CH3){1|H<1>,2|C<3>}	111.6960	0.000	1	111.8705	0.061	2	111.2421	0.293	51	111.2167	0.574	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|S<2>,2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CH3){1|H<1>,2|C<3>}	112.0450	0.000	1	111.8705	0.061	2	111.2421	0.293	51	111.2167	0.574	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|Br<1>,1|H<1>,1|S<2>,3|C<3>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CH3){1|Br<1>,2|C<3>}	111.0540	0.000	1	111.0540	0.000	1	111.2421	0.293	51	111.2167	0.574	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(S[5a]C[5a]){1|Br<1>,1|S<2>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CH3){1|Br<1>,2|C<3>}	111.2120	0.000	1	111.2120	0.000	1	111.2421	0.293	51	111.2167	0.574	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(S[5a]C[5a]){3|C<3>,3|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CCHH){1|N<3>,2|C<3>}	112.2313	0.202	3	112.2313	0.041	3	111.2421	0.293	51	111.2167	0.574	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]C)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	111.3520	0.000	1	111.3520	0.000	1	111.2421	0.293	51	111.2167	0.574	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|S<2>,2|C<4>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(CCHH){1|C<2>,1|C<3>,1|S<2>}	111.3755	0.248	4	111.3755	0.061	4	111.2421	0.293	51	111.2167	0.574	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CCHH){1|S<2>,2|C<3>}	110.7025	0.045	2	110.7025	0.002	2	111.2421	0.293	51	111.2167	0.574	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CCHH){1|C<3>,1|H<1>,1|S<2>}	111.2322	0.100	4	111.2322	0.010	4	111.2421	0.293	51	111.2167	0.574	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>,1|S<2>}	111.2830	0.000	1	111.2830	0.000	1	111.2421	0.293	51	111.2167	0.574	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CHHO)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CHHO){1|C<3>,1|H<1>,1|S<2>}	110.6268	0.158	4	110.6268	0.025	4	111.2421	0.293	51	111.2167	0.574	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)2{2|C<3>,2|C<4>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(CCHH){1|S<2>,2|C<3>}	110.8660	0.507	4	110.8660	0.257	4	111.2421	0.293	51	111.2167	0.574	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)2{2|C<3>,2|C<4>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(CH3){1|S<2>,2|C<3>}	111.2140	0.000	1	111.2140	0.000	1	111.2421	0.293	51	111.2167	0.574	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)2{1|C<4>,1|H<1>,2|C<3>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CCHH){1|S<2>,2|C<3>}	111.1252	0.675	4	110.9712	0.333	6	111.2421	0.293	51	111.2167	0.574	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)2{1|C<4>,1|H<1>,2|C<3>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CCHH){1|S<2>,2|C<3>}	110.6630	0.123	2	110.9712	0.333	6	111.2421	0.293	51	111.2167	0.574	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)2{1|C<4>,1|H<1>,2|C<3>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CH3){1|S<2>,2|C<3>}	110.9810	0.532	4	110.9810	0.283	4	111.2421	0.293	51	111.2167	0.574	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]B[5])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	S[5a](C[5a]C[5a]B[5])(C[5a]C[5a]2){1|C<3>,1|C<4>,1|H<1>,1|S<2>,2|O<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CCHH){1|B<3>,1|C<3>,1|S<2>}	111.5865	0.009	2	111.5865	0.000	2	111.2421	0.293	51	111.2167	0.574	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|Br<1>,1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CH3){1|Br<1>,1|C<3>,1|S<2>}	111.3690	0.389	2	111.1690	0.196	3	111.2421	0.293	51	111.2167	0.574	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|Br<1>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CH3){1|Br<1>,1|C<3>,1|S<2>}	110.7690	0.000	1	111.1690	0.196	3	111.2421	0.293	51	111.2167	0.574	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CHHN)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CHHN){1|Br<1>,1|C<3>,1|S<2>}	111.4993	0.841	4	111.4993	0.708	4	111.2421	0.293	51	111.2167	0.574	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CHHS)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]2){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CHHS){1|Br<1>,1|C<3>,1|S<2>}	111.7130	0.081	2	111.7130	0.006	2	111.2421	0.293	51	111.2167	0.574	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CH3){1|C<3>,1|N<3>,1|S<2>}	111.5670	0.120	2	111.5670	0.014	2	111.2421	0.293	51	111.2167	0.574	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:Ge-4:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Ge)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(GeC[5a]HH)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Ge)(S[5a]C[5a]){1|Ge<4>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|Ge<4>,1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(GeC[5a]HH){1|C<3>,1|H<1>,1|S<2>}	111.3880	0.030	2	111.3880	0.001	2	111.3880	0.001	2	111.2167	0.574	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]P)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(PC[6a]2O)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]P)(S[5a]C[5a]){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|H<1>,1|P<4>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(PC[6a]2O){1|C<3>,1|C<4>,1|S<2>}	110.3400	0.000	1	110.2710	0.099	4	110.2419	0.270	9	111.2167	0.574	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]P)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(PC[6a]2O)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]P)(S[5a]C[5a]){1|B<4>,1|C<2>,1|H<1>,2|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|H<1>,1|P<4>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(PC[6a]2O){1|C<2>,1|C<3>,1|S<2>}	110.4665	0.053	2	110.2710	0.099	4	110.2419	0.270	9	111.2167	0.574	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]P)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(PC[6a]2O)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]P)(S[5a]C[5a]){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|H<1>,1|P<4>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(PC[6a]2O){1|C<3>,1|C<4>,1|S<2>}	109.8110	0.000	1	110.2710	0.099	4	110.2419	0.270	9	111.2167	0.574	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]P)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(PC[6a]2Ir)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]P)(S[5a]C[5a]){1|Ir<6>,1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)2{1|H<1>,1|P<4>,2|C<3>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(PC[6a]2Ir){1|S<2>,2|C<3>}	110.6120	0.000	1	110.6120	0.000	1	110.2419	0.270	9	111.2167	0.574	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]P)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(PC[6a]2Pd)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]P)(S[5a]C[5a]){1|Pd<4>,1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)2{1|H<1>,1|P<4>,2|C<3>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(PC[6a]2Pd){1|S<2>,2|C<3>}	110.7900	0.000	1	110.7900	0.000	1	110.2419	0.270	9	111.2167	0.574	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]P)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(PC[6a]2Ru)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]P)(S[5a]C[5a]){1|Ru<6>,1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]2)2{1|H<1>,1|P<4>,2|C<3>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(PC[6a]2Ru){1|S<2>,2|C<3>}	110.5390	0.000	1	110.5390	0.000	1	110.2419	0.270	9	111.2167	0.574	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]P)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(PC[6a]2O)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]P)(S[5a]C[5a]){1|B<4>,1|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2){1|H<1>,1|P<4>,1|S<2>,3|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(PC[6a]2O){1|S<2>,2|C<3>}	109.5760	0.668	2	109.5760	0.446	2	110.2419	0.270	9	111.2167	0.574	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]N[5a]O[5a])(C[5a]C[5a]S)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(SN[6]OO)	C[5a](C[5a]N[5a]O[5a])(C[5a]C[5a]S)(S[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|H<1>,1|N<2>,1|O<2>,1|S<4>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(SN[6]OO){1|H<1>,1|N<2>,1|O<2>}	110.7690	0.481	2	110.7690	0.231	2	110.7690	0.231	2	111.2167	0.574	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]Br)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(S[5a]C[5a]){1|Br<1>,1|C<3>,1|N<2>,3|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]Br){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(CH3){1|Br<1>,2|C<3>}	111.6605	0.640	2	111.6605	0.410	2	110.8219	0.262	13	111.2167	0.574	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])(CH3)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])(CH3){1|C<4>,4|C<3>}	110.6305	0.070	2	110.6305	0.005	2	110.8219	0.262	13	111.2167	0.574	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]2)(CH3)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]2)(CH3){1|C<4>,1|S<2>,3|C<3>}	110.9420	0.066	2	110.9420	0.004	2	110.8219	0.262	13	111.2167	0.574	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(CH3)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(CH3){2|C<4>,3|C<3>}	111.1830	0.000	1	111.1830	0.000	1	110.8219	0.262	13	111.2167	0.574	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<3>,1|N<2>,4|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(CH3){1|H<1>,2|C<3>}	110.2875	0.032	2	110.2875	0.001	2	110.8219	0.262	13	111.2167	0.574	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6a])2{2|C<4>,4|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(CH3){3|C<3>}	110.6153	0.336	4	110.6153	0.113	4	110.8219	0.262	13	111.2167	0.574	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C)(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(CC[6a]HH)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C)(S[5a]C[5a,6a]){1|H<1>,5|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(CC[6a]HH){1|H<1>,4|C<3>}	112.6640	0.000	1	112.6640	0.000	1	112.6640	0.000	1	111.2167	0.574	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(CCHH)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)(S[5a]C[5a]){1|N<2>,2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(CCHH){1|H<1>,2|C<3>}	111.0060	0.453	5	111.0060	0.205	5	110.9659	0.142	8	111.2167	0.574	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(CH3)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)(S[5a]C[5a]){1|N<2>,2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(CH3){1|H<1>,2|C<3>}	110.8550	0.376	2	110.8550	0.142	2	110.9659	0.142	8	111.2167	0.574	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]O[6a])(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(CCHH)	C[5a](C[6a]C[6a]O[6a])(C[5a]C[5a]C)(S[5a]C[5a]){2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(CCHH){1|C<3>,1|H<1>,1|O<2>}	110.9870	0.000	1	110.9870	0.000	1	110.9659	0.142	8	111.2167	0.574	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:4:2:	N[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5]-4:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]C[5])(S[5a]C[5a])	S[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)	C[5a](C[5a]N[5a]S[5a])(C[5]C[5]2Fe)(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]C[5])(S[5a]C[5a]){1|Fe<10>,1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|C<4>}	S[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N){1|C<3>,1|C<4>,1|N<2>}	C[5a](C[5a]N[5a]S[5a])(C[5]C[5]2Fe)(N[5a]C[5a]){1|C<3>,1|N<2>,1|N<3>,2|C<4>,2|H<1>}	112.1570	0.458	3	112.0725	0.168	4	112.0725	0.168	4	112.0725	0.168	4	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:4:2:	N[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5]-4:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]C[5])(S[5a]C[5a])	S[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)	C[5a](C[5a]N[5a]S[5a])(C[5]C[5]2Fe)(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]C[5])(S[5a]C[5a]){1|Fe<10>,1|C<3>,1|H<1>,2|C<4>,2|N<2>}	S[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N){1|C<3>,1|C<4>,1|N<2>}	C[5a](C[5a]N[5a]S[5a])(C[5]C[5]2Fe)(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>,2|N<2>}	111.8190	0.000	1	112.0725	0.168	4	112.0725	0.168	4	112.0725	0.168	4	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:3:2:	3:3:	3:4:3:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5]-4:C[5a]-3:	C[5a](C[5a]C[5a]C[5])(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])2	C[5a](C[5a]C[6a]S[5a])(C[5]C[5]2Fe)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C[5])(C[6a]C[6a]2)(S[5a]C[5a]){1|Fe<10>,2|C<4>,3|C<3>,3|H<1>}	S[5a](C[5a]C[5a]C[6a])2{1|C<4>,1|H<1>,4|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5]C[5]2Fe)(C[5a]C[5a]H){1|H<1>,2|C<4>,4|C<3>}	110.6220	0.508	2	110.6220	0.258	2	110.6220	0.258	2	110.6220	0.258	2	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:4:2:	3:3:	3:2:4:	C[5a]-3:C[5]-4:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(C[5]C[5]2H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]N[5a]H)	C[5a](C[5a]S[5a]C[5])(N[5a]C[5a])(CH3)	C[5a](C[5a]N[5a]C)(C[5]C[5]2H)(S[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]N[5a]H){1|C<3>,1|H<1>,2|C<4>}	C[5a](C[5a]S[5a]C[5])(N[5a]C[5a])(CH3){1|C<3>,1|C<4>,2|H<1>}	109.4320	0.000	1	109.4320	0.000	1	109.4320	0.000	1	109.4320	0.000	1	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:4:2:	3:3:	3:3:1:	C[5a]-3:C[3]-4:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[3]C[3]2O)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[3])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[3])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[3]C[3]2O)(S[5a]C[5a]){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	S[5a](C[5a]C[5a]C[3])(C[5a]C[5a]H){1|O<2>,2|C<4>,2|H<1>}	C[5a](C[5a]S[5a]C[3])(C[5a]C[5a]H)(H){1|H<1>,1|O<2>,2|C<4>}	110.9140	0.000	1	110.9140	0.000	1	110.9140	0.000	1	111.0561	0.777	22	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:4:2:	3:3:	3:3:1:	C[5a]-3:C[5]-4:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(C[5]C[5]N[5]H)(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[5])(H)	C[5a](C[5a]C[5a,6a]H)(C[5]C[5]N[5]H)(S[5a]C[5a,6a]){1|O<2>,6|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[5])(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	112.4840	0.000	1	112.4840	0.000	1	112.4840	0.000	1	111.0561	0.777	22	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:4:2:	3:3:	3:3:1:	C[5a]-3:C[5]-4:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5]C[5]2H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5]C[5]2H)(S[5a]C[5a]){1|C<2>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){2|C<4>,3|H<1>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){2|C<4>,2|H<1>}	113.1780	0.000	1	111.4685	2.033	4	111.2937	0.895	9	111.0561	0.777	22	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:4:2:	3:3:	3:3:1:	C[5a]-3:C[5]-4:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5]C[5]2H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5]C[5]2H)(S[5a]C[5a]){1|C<2>,1|S<2>,2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){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|C<4>,2|H<1>}	112.1100	0.000	1	111.4685	2.033	4	111.2937	0.895	9	111.0561	0.777	22	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:4:2:	3:3:	3:3:1:	C[5a]-3:C[5]-4:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5]C[5]2H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5]C[5]2H)(S[5a]C[5a]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){2|C<4>,3|H<1>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){2|C<4>,2|H<1>}	110.2730	0.000	1	111.4685	2.033	4	111.2937	0.895	9	111.0561	0.777	22	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:4:2:	3:3:	3:3:1:	C[5a]-3:C[5]-4:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5]C[5]2H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5]C[5]2H)(S[5a]C[5a]){1|N<3>,3|C<3>,4|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){2|C<4>,3|H<1>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){2|C<4>,2|H<1>}	110.3130	0.000	1	111.4685	2.033	4	111.2937	0.895	9	111.0561	0.777	22	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:4:2:	3:3:	3:3:1:	C[5a]-3:C[5]-4:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5]N[5]2H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]Br)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5]N[5]2H)(S[5a]C[5a]){1|Br<1>,1|H<1>,2|C<4>,2|O<2>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]Br){2|N<3>,3|H<1>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){1|Br<1>,1|H<1>,2|N<3>}	110.7630	0.000	1	110.7630	0.000	1	111.2937	0.895	9	111.0561	0.777	22	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:4:2:	3:3:	3:3:1:	C[5a]-3:C[5]-4:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5]N[5]2H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5]N[5]2H)(S[5a]C[5a]){1|C<3>,2|C<4>,3|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){2|N<3>,3|H<1>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){2|H<1>,2|N<3>}	110.6670	0.000	1	110.6670	0.000	1	111.2937	0.895	9	111.0561	0.777	22	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:4:2:	3:3:	3:3:1:	C[5a]-3:C[5]-4:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5]O[5]2C)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]Br)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5]O[5]2C)(S[5a]C[5a]){1|Br<1>,1|H<1>,2|C<4>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]Br){1|C<4>,2|H<1>,2|O<2>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){1|Br<1>,1|C<4>,2|O<2>}	111.3345	0.343	2	111.3345	0.118	2	111.2937	0.895	9	111.0561	0.777	22	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:4:2:	3:3:	3:3:1:	C[5a]-3:C[5]-4:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5]O[5]2H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5]O[5]2H)(S[5a]C[5a]){2|C<4>,2|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){2|O<2>,3|H<1>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){2|H<1>,2|O<2>}	111.6700	0.000	1	111.6700	0.000	1	111.2937	0.895	9	111.0561	0.777	22	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:4:2:	3:3:	3:3:1:	C[5a]-3:C[6]-4:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(S[5a]C[5a]){1|C<2>,2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){2|C<3>,3|H<1>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	111.3270	0.000	1	110.5303	0.644	6	110.8208	0.654	9	111.0561	0.777	22	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:4:2:	3:3:	3:3:1:	C[5a]-3:C[6]-4:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(S[5a]C[5a]){1|C<4>,2|C<3>,5|H<1>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){2|C<4>,3|H<1>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H){2|C<4>,2|H<1>}	110.0680	0.000	1	110.5303	0.644	6	110.8208	0.654	9	111.0561	0.777	22	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:4:2:	3:3:	3:3:1:	C[5a]-3:C[6]-4:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(S[5a]C[5a]){2|H<1>,4|C<3>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){2|C<3>,3|H<1>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	110.4467	0.884	4	110.5303	0.644	6	110.8208	0.654	9	111.0561	0.777	22	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:4:2:	3:3:	3:3:1:	C[5a]-3:C[6]-4:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6]C[6]2O)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6]C[6]2O)(S[5a]C[5a]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	111.0160	0.000	1	111.0160	0.000	1	110.8208	0.654	9	111.0561	0.777	22	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:4:2:	3:3:	3:3:1:	C[5a]-3:C[6]-4:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6]N[6]2H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6]N[6]2H)(S[5a]C[5a]){2|H<1>,4|C<4>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){2|N<3>,3|H<1>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H){2|H<1>,2|N<3>}	111.2270	0.000	1	111.2270	0.000	1	110.8208	0.654	9	111.0561	0.777	22	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:4:2:	3:3:	3:3:1:	C[5a]-3:C[6]-4:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6]O[6]2H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]2)	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]Br)(H)	C[5a](C[5a]C[5a]H)(C[6]O[6]2H)(S[5a]C[5a]){1|Br<1>,1|C<3>,2|C<4>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]2){1|Br<1>,1|C<3>,1|S<2>,2|H<1>,2|O<2>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]Br)(H){1|C<3>,1|H<1>,2|O<2>}	111.9620	0.000	1	111.9620	0.000	1	110.8208	0.654	9	111.0561	0.777	22	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	3:4:2:	3:3:	3:3:1:	C[5a]-3:P[3]-4:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(P[3]C[3]2W)(S[5a]C[5a])	S[5a](C[5a]C[5a]P[3])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]P[3])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(P[3]C[3]2W)(S[5a]C[5a]){2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]P[3])(C[5a]C[5a]H){1|W<6>,2|C<3>,2|H<1>}	C[5a](C[5a]S[5a]P[3])(C[5a]C[5a]H)(H){1|H<1>,1|W<6>,2|C<3>}	110.4035	0.054	2	110.4035	0.003	2	110.4035	0.003	2	111.0561	0.777	22	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:2:1:	B[5,5]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](B[5,5]N[5,5]O[5]2)(C[5a]N[5a]H)(S[5a]C[5a])	S[5a](C[5a]B[5,5]C[5a])(C[5a]N[5a]H)	C[5a](C[5a]B[5,5]S[5a])(N[5a]C[5a])(H)	C[5a](B[5,5]N[5,5]O[5]2)(C[5a]N[5a]H)(S[5a]C[5a]){1|H<1>,2|C<3>,3|C<4>}	S[5a](C[5a]B[5,5]C[5a])(C[5a]N[5a]H){1|H<1>,1|N<4>,2|O<2>}	C[5a](C[5a]B[5,5]S[5a])(N[5a]C[5a])(H){1|H<1>,1|N<4>,2|O<2>}	107.2300	0.000	1	107.2300	0.000	1	107.2300	0.000	1	108.2640	2.138	2	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:2:1:	C[6]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[6]C[6,6a]C[6]O)(C[5a]N[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6])(C[5a]N[5a]O)	C[5a](C[5a]S[5a]C[6])(N[5a]C[5a])(H)	C[5a](C[6]C[6,6a]C[6]O)(C[5a]N[5a]H)(S[5a]C[5a]){1|O<1>,1|O<2>,3|C<3>}	S[5a](C[5a]C[5a]C[6])(C[5a]N[5a]O){1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a]S[5a]C[6])(N[5a]C[5a])(H){2|C<3>,2|O<2>}	109.2980	0.000	1	109.2980	0.000	1	109.2980	0.000	1	108.2640	2.138	2	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:2:4:	C[5]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5]C[5,5]C[5]H)(C[5a]N[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]N[5a]H)	C[5a](C[5a]S[5a]C[5])(N[5a]C[5a])(CH3)	C[5a](C[5]C[5,5]C[5]H)(C[5a]N[5a]C)(S[5a]C[5a]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]N[5a]H){1|H<1>,3|C<4>}	C[5a](C[5a]S[5a]C[5])(N[5a]C[5a])(CH3){2|C<4>,2|H<1>}	109.2015	0.117	2	109.2015	0.014	2	109.2015	0.014	2	109.6647	0.169	6	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:2:4:	C[6]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[6]C[6,6a]C[6]H)(C[5a]N[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6])(C[5a]N[5a]H)	C[5a](C[5a]S[5a]C[6])(N[5a]C[5a])(CH3)	C[5a](C[6]C[6,6a]C[6]H)(C[5a]N[5a]C)(S[5a]C[5a]){1|H<1>,4|C<3>}	S[5a](C[5a]C[5a]C[6])(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]S[5a]C[6])(N[5a]C[5a])(CH3){2|C<3>,2|H<1>}	109.8700	0.379	2	109.8700	0.144	2	109.8963	0.062	4	109.6647	0.169	6	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:2:4:	C[6]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[6]C[6]N[6]H)(C[5a]N[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6])(C[5a]N[5a]H)	C[5a](C[5a]S[5a]C[6])(N[5a]C[5a])(CH3)	C[5a](C[6]C[6]N[6]H)(C[5a]N[5a]C)(S[5a]C[5a]){1|C<3>,1|C<4>,4|H<1>}	S[5a](C[5a]C[5a]C[6])(C[5a]N[5a]H){1|H<1>,1|N<3>,2|C<4>}	C[5a](C[5a]S[5a]C[6])(N[5a]C[5a])(CH3){1|C<4>,1|N<3>,2|H<1>}	110.0650	0.000	1	109.9225	0.041	2	109.8963	0.062	4	109.6647	0.169	6	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:2:4:	C[6]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[6]C[6]N[6]H)(C[5a]N[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6])(C[5a]N[5a]H)	C[5a](C[5a]S[5a]C[6])(N[5a]C[5a])(CH3)	C[5a](C[6]C[6]N[6]H)(C[5a]N[5a]C)(S[5a]C[5a]){1|C<3>,2|C<4>,3|H<1>}	S[5a](C[5a]C[5a]C[6])(C[5a]N[5a]H){1|H<1>,1|N<3>,2|C<4>}	C[5a](C[5a]S[5a]C[6])(N[5a]C[5a])(CH3){1|C<4>,1|N<3>,2|H<1>}	109.7800	0.000	1	109.9225	0.041	2	109.8963	0.062	4	109.6647	0.169	6	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	B-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](BC[6a]2N[6])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]2)(C[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]B)(H)	C[5a](BC[6a]2N[6])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]B){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]B)(H){1|C<3>}	108.7660	0.000	1	108.7660	0.000	1	108.7660	0.000	1	111.0190	2.014	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	B[3]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](B[3]B[3,6,6]B[3]C[5])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]B[3])(C[5a]C[5a]Si)	C[5a](C[5a]S[5a]B[3])(C[5a]C[5a]H)(H)	C[5a](B[3]B[3,6,6]B[3]C[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|Si<4>,1|C<3>,2|C<4>,2|N<3>,3|H<1>}	S[5a](C[5a]C[5a]B[3])(C[5a]C[5a]Si){1|B<4>,1|B<5>,1|C<3>,2|H<1>}	C[5a](C[5a]S[5a]B[3])(C[5a]C[5a]H)(H){1|Si<4>,1|B<4>,1|B<5>,1|C<3>}	106.3780	0.000	1	106.3780	0.000	1	106.3780	0.000	1	111.0190	2.014	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	B[5,5]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](B[5,5]N[5,5]O[5]2)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]B[5,5]C[5a])(C[5a]C[5a]Br)	C[5a](C[5a]B[5,5]S[5a])(C[5a]C[5a]C)(H)	C[5a](B[5,5]N[5,5]O[5]2)(C[5a]C[5a]H)(S[5a]C[5a]){1|Br<1>,2|C<3>,4|C<4>}	S[5a](C[5a]B[5,5]C[5a])(C[5a]C[5a]Br){1|C<4>,1|H<1>,1|N<4>,2|O<2>}	C[5a](C[5a]B[5,5]S[5a])(C[5a]C[5a]C)(H){1|Br<1>,1|N<4>,2|O<2>}	109.6130	0.315	2	109.6130	0.099	2	109.6130	0.099	2	111.0190	2.014	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	B[5]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](B[5]C[5]2N[6])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]B[5])(C[5a]C[5a]2)	C[5a](C[5a]S[5a]B[5])(C[5a]C[5a]H)(H)	C[5a](B[5]C[5]2N[6])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,7|C<3>}	S[5a](C[5a]C[5a]B[5])(C[5a]C[5a]2){1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]S[5a]B[5])(C[5a]C[5a]H)(H){1|N<3>,3|C<3>}	108.2170	0.000	1	108.2170	0.000	1	108.3260	1.122	4	111.0190	2.014	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	B[5]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](B[5]C[5a]N[5]O[5])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]B[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]B[5])(C[5a]C[5a]H)(H)	C[5a](B[5]C[5a]N[5]O[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|S<2>,2|C<4>,4|H<1>}	S[5a](C[5a]C[5a]B[5])(C[5a]C[5a]H){1|C<3>,1|N<4>,1|O<2>,2|H<1>}	C[5a](C[5a]S[5a]B[5])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<4>,1|O<2>}	109.0120	0.904	2	109.0120	0.817	2	108.3260	1.122	4	111.0190	2.014	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	B[5]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](B[5]C[6a]N[5]O[5])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]B[5])2	C[5a](C[5a]S[5a]B[5])(C[5a]C[5a]H)(H)	C[5a](B[5]C[6a]N[5]O[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|B<4>,2|C<3>,2|C<4>,3|H<1>}	S[5a](C[5a]C[5a]B[5])2{2|C<3>,2|H<1>,2|N<4>,2|O<2>}	C[5a](C[5a]S[5a]B[5])(C[5a]C[5a]H)(H){1|B<4>,1|C<3>,1|N<4>,1|O<2>}	107.0630	0.000	1	107.0630	0.000	1	108.3260	1.122	4	111.0190	2.014	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	B[5a]-4:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](B[5a]N[5a,6]C[5a]O[5a])(C[5a]C[5a,6a]H)(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]B[5a]C[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]B[5a]S[5a])(H)	C[5a](B[5a]N[5a,6]C[5a]O[5a])(C[5a]C[5a,6a]H)(S[5a]C[5a,6a]){1|S<2>,6|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]B[5a]C[5a]){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]B[5a]S[5a])(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	113.0325	1.751	4	113.0325	3.068	4	113.0325	3.068	4	111.0190	2.014	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	C-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5a]C[6]H)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](CC[5a]C[6]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|Br<1>,1|H<1>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|Br<1>}	110.1050	0.000	1	110.1050	0.000	1	110.3405	0.571	13	111.0190	2.014	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	C-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5a]C[6a]2)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](CC[5a]C[6a]2)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<4>}	110.5420	0.000	1	110.5420	0.000	1	110.3405	0.571	13	111.0190	2.014	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	C-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	110.3120	0.000	1	110.3120	0.000	1	110.3405	0.571	13	111.0190	2.014	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	C-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	110.0355	0.456	2	110.0355	0.208	2	110.3405	0.571	13	111.0190	2.014	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	C-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5a]C[6a]O)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](CC[5a]C[6a]O)(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	111.4655	0.709	2	111.4655	0.503	2	110.3405	0.571	13	111.0190	2.014	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	C-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[6a]2C[5])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](CC[6a]2C[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<4>}	109.4870	0.000	1	109.4870	0.000	1	110.3405	0.571	13	111.0190	2.014	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	C-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[6a]C[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](CC[6a]C[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|H<1>}	S[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<4>}	110.1593	0.908	4	110.1593	0.824	4	110.3405	0.571	13	111.0190	2.014	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	C-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[6a]N[5a]C)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C[5a](CC[6a]N[5a]C)(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>}	S[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	110.3410	0.000	1	110.3410	0.000	1	110.3405	0.571	13	111.0190	2.014	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	C[4]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[4]C[4]O[4]C)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[4])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[4])(C[5a]C[5a]H)(H)	C[5a](C[4]C[4]O[4]C)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	S[5a](C[5a]C[5a]C[4])(C[5a]C[5a]H){1|O<2>,2|C<4>,2|H<1>}	C[5a](C[5a]S[5a]C[4])(C[5a]C[5a]H)(H){1|H<1>,1|O<2>,2|C<4>}	112.9350	0.000	1	112.9350	0.000	1	112.9350	0.000	1	111.0190	2.014	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	C[5,5]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5,5]C[5,5]C[5]O[5])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5,5]C[5a])(C[5a]C[5a]Br)	C[5a](C[5a]C[5,5]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5,5]C[5,5]C[5]O[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|Br<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	S[5a](C[5a]C[5,5]C[5a])(C[5a]C[5a]Br){1|O<2>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5,5]S[5a])(C[5a]C[5a]H)(H){1|Br<1>,1|O<2>,2|C<4>}	112.2040	0.000	1	112.2040	0.000	1	111.4175	1.237	2	111.0190	2.014	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	C[5,5]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5,5]C[5,5]C[5]O[5])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5,5]C[5a])(C[5a]C[5a]H)	C[5a](C[5a]C[5,5]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[5,5]C[5,5]C[5]O[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	S[5a](C[5a]C[5,5]C[5a])(C[5a]C[5a]H){1|O<2>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5,5]S[5a])(C[5a]C[5a]H)(H){1|H<1>,1|O<2>,2|C<4>}	110.6310	0.000	1	110.6310	0.000	1	111.4175	1.237	2	111.0190	2.014	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5,5]C[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5]C[5,5]C[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){2|C<4>,3|H<1>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){2|C<4>,2|H<1>}	111.2290	0.000	1	111.2290	0.000	1	110.9513	0.854	49	111.0190	2.014	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5,5]N[5,5]H)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5]C[5,5]N[5,5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,3|C<4>,3|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){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<4>,1|N<3>,2|H<1>}	111.5220	0.000	1	111.5220	0.000	1	110.9513	0.854	49	111.0190	2.014	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5,5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5]C[5,5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C){1|C<4>,1|N<3>,3|H<1>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){1|H<1>,1|N<3>,2|C<4>}	109.6870	0.000	1	109.6870	0.000	1	110.9513	0.854	49	111.0190	2.014	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5,5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5]C[5,5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|S<4>,2|C<4>,4|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){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<4>,1|N<3>,2|H<1>}	110.7550	0.000	1	110.7940	0.003	2	110.9513	0.854	49	111.0190	2.014	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5,5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5]C[5,5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){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<4>,1|N<3>,2|H<1>}	110.8330	0.000	1	110.7940	0.003	2	110.9513	0.854	49	111.0190	2.014	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5,5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[5])	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5]C[5,5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[5]){1|C<4>,1|N<3>,2|C<3>,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>,1|N<3>}	110.0930	0.000	1	110.0930	0.000	1	110.9513	0.854	49	111.0190	2.014	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5,6]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5]C[5,6]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|S<4>,2|C<4>,4|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){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<4>,1|N<3>,2|H<1>}	111.6050	0.000	1	111.6050	0.000	1	110.9513	0.854	49	111.0190	2.014	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5,6]O[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5]C[5,6]O[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<4>,1|O<2>,3|H<1>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){1|C<4>,1|O<2>,2|H<1>}	113.1220	0.000	1	113.1220	0.000	1	110.9513	0.854	49	111.0190	2.014	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5,6a]C[5,5]H)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5]C[5,6a]C[5,5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){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|C<4>,2|H<1>}	113.0030	0.000	1	113.0030	0.000	1	110.9513	0.854	49	111.0190	2.014	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5,6a]N[5]C)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5]C[5,6a]N[5]C)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|N<3>,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>,2|C<3>}	113.5020	0.000	1	113.5020	0.000	1	110.9513	0.854	49	111.0190	2.014	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5,6a]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5]C[5,6a]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<3>,1|N<3>,3|H<1>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){1|C<3>,1|N<3>,2|H<1>}	112.8240	0.000	1	112.8240	0.000	1	110.9513	0.854	49	111.0190	2.014	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[3x3,4,3x5,14x6]C[5a])(C[5a]C[5a]C[5])	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<5>,2|C<4>,3|H<1>}	S[5a](C[5a]C[3x3,4,3x5,14x6]C[5a])(C[5a]C[5a]C[5]){1|Fe<10>,2|C<4>,2|H<1>,4|B<6>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){1|Fe<10>,1|C<5>,2|C<4>}	110.6060	0.361	2	110.6060	0.130	2	110.9513	0.854	49	111.0190	2.014	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]P)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(S[5a]C[5a]){1|P<3>,2|H<1>,3|C<4>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]P){1|Fe<10>,2|C<4>,2|H<1>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){1|Fe<10>,1|P<3>,2|C<4>}	110.3065	0.013	2	110.3065	0.000	2	110.9513	0.854	49	111.0190	2.014	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])2	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(S[5a]C[5a]){3|C<4>,3|H<1>}	S[5a](C[5a]C[5a]C[5])2{2|Fe<10>,2|H<1>,4|C<4>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){1|Fe<10>,3|C<4>}	110.3297	0.234	6	110.3297	0.055	6	110.9513	0.854	49	111.0190	2.014	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[5])	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,2|H<1>,3|C<4>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[5]){1|Fe<10>,2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){1|Fe<10>,1|C<3>,2|C<4>}	111.0695	0.141	2	111.0695	0.020	2	110.9513	0.854	49	111.0190	2.014	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5]2Ru)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5]C[5]2Ru)(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,4|C<4>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|Ru<8>,2|C<4>,2|H<1>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){1|Ru<8>,1|H<1>,2|C<4>}	111.3390	0.000	1	111.3390	0.000	1	110.9513	0.854	49	111.0190	2.014	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){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<4>,1|N<3>,2|H<1>}	109.8650	0.000	1	110.9533	1.281	6	110.9513	0.854	49	111.0190	2.014	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){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<4>,1|N<3>,2|H<1>}	110.9910	0.737	2	110.9533	1.281	6	110.9513	0.854	49	111.0190	2.014	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<4>,1|N<2>,3|H<1>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){1|C<4>,1|N<2>,2|H<1>}	109.7540	0.000	1	110.9533	1.281	6	110.9513	0.854	49	111.0190	2.014	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|N<2>,2|C<3>,4|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){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<4>,1|N<3>,2|H<1>}	111.4320	0.000	1	110.9533	1.281	6	110.9513	0.854	49	111.0190	2.014	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|S<4>,2|C<4>,5|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<4>,1|N<4>,3|H<1>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){1|C<4>,1|N<4>,2|H<1>}	112.6870	0.000	1	110.9533	1.281	6	110.9513	0.854	49	111.0190	2.014	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5]O[5]C)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5]C[5]O[5]C)(C[5a]C[5a]H)(S[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|O<2>,2|C<4>,2|H<1>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){1|H<1>,1|O<2>,2|C<4>}	111.3370	0.000	1	111.3543	0.038	3	110.9513	0.854	49	111.0190	2.014	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5]O[5]C)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5]C[5]O[5]C)(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|O<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|H<1>,1|O<2>}	111.5570	0.000	1	111.3543	0.038	3	110.9513	0.854	49	111.0190	2.014	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5]O[5]C)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5]C[5]O[5]C)(C[5a]C[5a]H)(S[5a]C[5a]){3|C<3>,3|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|O<2>,2|C<4>,2|H<1>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){1|H<1>,1|O<2>,2|C<4>}	111.1690	0.000	1	111.3543	0.038	3	110.9513	0.854	49	111.0190	2.014	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<4>,1|O<2>,3|H<1>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){1|C<4>,1|O<2>,2|H<1>}	111.1240	0.000	1	111.5260	0.278	4	110.9513	0.854	49	111.0190	2.014	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|O<2>,2|C<2>,2|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<4>,1|O<2>,3|H<1>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){1|C<4>,1|O<2>,2|H<1>}	111.7410	0.000	1	111.5260	0.278	4	110.9513	0.854	49	111.0190	2.014	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<4>,1|O<2>,3|H<1>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){1|C<4>,1|O<2>,2|H<1>}	111.6195	0.780	2	111.5260	0.278	4	110.9513	0.854	49	111.0190	2.014	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5a]C[5]2)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]S)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5]C[5a]C[5]2)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|O<1>,1|S<2>,3|C<3>,3|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]S){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<4>,1|S<2>,2|C<3>}	110.7650	0.000	1	110.7650	0.000	1	110.9513	0.854	49	111.0190	2.014	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]N[5,6]C[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]Br)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5]N[5,6]C[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]Br){1|C<4>,1|N<3>,3|H<1>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){1|Br<1>,1|C<4>,1|H<1>,1|N<3>}	110.7780	0.485	5	110.7780	0.235	5	110.9513	0.854	49	111.0190	2.014	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]N[5,6]C[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5]N[5,6]C[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C){1|C<4>,1|N<3>,3|H<1>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){1|H<1>,1|N<3>,2|C<4>}	110.0323	0.264	4	110.0323	0.069	4	110.9513	0.854	49	111.0190	2.014	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]N[5]O[5]C)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]Cl)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5]N[5]O[5]C)(C[5a]C[5a]H)(S[5a]C[5a]){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]Cl){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){1|Cl<1>,1|C<4>,1|N<3>,1|O<2>}	110.2445	0.149	2	110.2445	0.022	2	110.9513	0.854	49	111.0190	2.014	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	C[6,6]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6,6]C[6,6]O[6]2)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[6,6]C[5a])(C[5a]C[5a]H)	C[5a](C[5a]C[6,6]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[6,6]C[6,6]O[6]2)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|C<3>,4|H<1>}	S[5a](C[5a]C[6,6]C[5a])(C[5a]C[5a]H){1|C<4>,2|H<1>,2|O<2>}	C[5a](C[5a]C[6,6]S[5a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|O<2>}	110.3900	0.000	1	110.3900	0.000	1	110.3900	0.000	1	111.0190	2.014	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	C[6]-4:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[6]C[5,6]O[6]H)(C[5a]C[5a,6a]H)(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[6])(H)	C[5a](C[6]C[5,6]O[6]H)(C[5a]C[5a,6a]H)(S[5a]C[5a,6a]){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[6])(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	113.6970	0.000	1	113.6970	0.000	1	113.6970	0.000	1	111.0190	2.014	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	C[6]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[5,6]C[6]H)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[6]C[5,6]C[6]H)(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,4|C<3>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){2|C<3>,3|H<1>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	112.6100	0.000	1	112.6100	0.000	1	111.8988	1.100	19	111.0190	2.014	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	C[6]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6,6a]2H)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]2)	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[6]C[6,6a]2H)(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,5|C<3>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]2){1|S<2>,3|C<3>,3|H<1>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	110.9580	0.544	2	110.9580	0.296	2	111.8988	1.100	19	111.0190	2.014	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	C[6]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6,6a]C[6]H)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[6]C[6,6a]C[6]H)(C[5a]C[5a]H)(S[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,2|H<1>}	112.1140	0.000	1	112.8215	1.001	2	111.8988	1.100	19	111.0190	2.014	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	C[6]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6,6a]C[6]H)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[6]C[6,6a]C[6]H)(C[5a]C[5a]H)(S[5a]C[5a]){3|C<3>,4|H<1>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,2|H<1>}	113.5290	0.000	1	112.8215	1.001	2	111.8988	1.100	19	111.0190	2.014	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	C[6]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6,6a]N[6,6]H)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[6]C[6,6a]N[6,6]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|N<3>,3|H<1>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|N<3>,2|H<1>}	113.4890	0.119	2	113.4890	0.014	2	111.8988	1.100	19	111.0190	2.014	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	C[6]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6,6a]O[6]C)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[6]C[6,6a]O[6]C)(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H){1|H<1>,1|O<2>,2|C<3>}	111.1200	0.000	1	111.1200	0.000	1	111.8988	1.100	19	111.0190	2.014	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	C[6]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,2|C<4>,3|H<1>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<4>,1|N<3>,3|H<1>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H){1|C<4>,1|N<3>,2|H<1>}	113.4770	0.000	1	112.3520	2.531	2	111.8988	1.100	19	111.0190	2.014	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	C[6]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(S[5a]C[5a]){3|C<3>,3|H<1>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|N<3>,3|H<1>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|N<3>,2|H<1>}	111.2270	0.000	1	112.3520	2.531	2	111.8988	1.100	19	111.0190	2.014	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	C[6]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|O<2>,2|C<3>,3|H<1>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<4>,1|O<2>,3|H<1>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H){1|C<4>,1|O<2>,2|H<1>}	112.5040	0.000	1	112.0220	0.465	2	111.8988	1.100	19	111.0190	2.014	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	C[6]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<4>,1|O<2>,3|H<1>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H){1|C<4>,1|O<2>,2|H<1>}	111.5400	0.000	1	112.0220	0.465	2	111.8988	1.100	19	111.0190	2.014	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	C[6]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6a]C[6]O[6])(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C[6])(H)	C[5a](C[6]C[6a]C[6]O[6])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,5|C<3>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C){1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C[6])(H){1|O<2>,2|C<4>,3|C<3>}	110.6630	0.228	2	110.6630	0.052	2	111.8988	1.100	19	111.0190	2.014	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	C[6]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]N[5,6]C[6]H)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[6]N[5,6]C[6]H)(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,4|C<3>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|N<3>,3|H<1>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|N<3>,2|H<1>}	112.6000	0.000	1	112.6000	0.000	1	111.8988	1.100	19	111.0190	2.014	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	C[6]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]N[5a,6]C[6]H)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[6]N[5a,6]C[6]H)(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,2|C<4>,3|H<1>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<4>,1|N<3>,3|H<1>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H){1|C<4>,1|N<3>,2|H<1>}	111.3070	0.034	2	111.3070	0.001	2	111.8988	1.100	19	111.0190	2.014	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	C[6]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]N[5a,6]N[6]H)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[6]N[5a,6]N[6]H)(C[5a]C[5a]H)(S[5a]C[5a]){3|C<3>,3|H<1>}	S[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){2|N<3>,3|H<1>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H){2|H<1>,2|N<3>}	111.2610	0.543	2	111.2610	0.295	2	111.8988	1.100	19	111.0190	2.014	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	P-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](PC[6a]C[5]Rh)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]H)(C[5a]C[5a]P)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(H)	C[5a](PC[6a]C[5]Rh)(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>}	S[5a](C[5a]C[5a]H)(C[5a]C[5a]P){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(H){1|H<1>}	114.1070	0.000	1	114.1070	0.000	1	114.1070	0.000	1	111.0190	2.014	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	P[5]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](P[5]C[5,5a]2O)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[5a]P[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]P[5])(C[5a]C[5a]H)(H)	C[5a](P[5]C[5,5a]2O)(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,4|C<3>}	S[5a](C[5a]C[5a]P[5])(C[5a]C[5a]H){1|O<1>,2|C<3>,2|H<1>}	C[5a](C[5a]S[5a]P[5])(C[5a]C[5a]H)(H){1|H<1>,1|O<1>,2|C<3>}	111.0140	0.000	1	111.0140	0.000	1	111.0140	0.000	1	111.0190	2.014	100	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:3:	C[5]-4:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5]C[5,6a]C[5]H)(C[5a]C[5a,6a]C)(S[5a]C[5a,6a])	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[5])(CC[6a]C)	C[5a](C[5]C[5,6a]C[5]H)(C[5a]C[5a,6a]C)(S[5a]C[5a,6a]){1|O<2>,5|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5]){2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[5])(CC[6a]C){2|H<1>,4|C<3>}	113.4630	0.000	1	113.4630	0.000	1	113.4630	0.000	1	110.4767	4.591	4	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:3:	C[5]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5]C[5]2Fe)(C[5a]C[5a]N)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])2	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]N)(NCC)	C[5a](C[5]C[5]2Fe)(C[5a]C[5a]N)(S[5a]C[5a]){1|N<3>,2|H<1>,3|C<4>}	S[5a](C[5a]C[5a]C[5])2{2|Fe<10>,2|N<3>,4|C<4>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]N)(NCC){1|Fe<10>,3|C<4>}	110.5010	0.000	1	110.5010	0.000	1	109.4813	0.941	3	110.4767	4.591	4	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:3:	C[5]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5]C[5]2Fe)(C[5a]C[5a]N)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])2	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]N)(NOO)	C[5a](C[5]C[5]2Fe)(C[5a]C[5a]N)(S[5a]C[5a]){1|N<3>,2|H<1>,3|C<4>}	S[5a](C[5a]C[5a]C[5])2{2|Fe<10>,2|N<3>,4|C<4>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]N)(NOO){1|Fe<10>,3|C<4>}	108.9715	0.568	2	108.9715	0.322	2	109.4813	0.941	3	110.4767	4.591	4	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:4:	B[5,5]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](B[5,5]N[5,5]O[5]2)(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]B[5,5]C[5a])(C[5a]C[5a]2)	C[5a](C[5a]B[5,5]S[5a])(C[5a]C[5a]H)(CCHH)	C[5a](B[5,5]N[5,5]O[5]2)(C[5a]C[5a]C)(S[5a]C[5a]){1|H<1>,3|C<3>,3|C<4>}	S[5a](C[5a]B[5,5]C[5a])(C[5a]C[5a]2){1|C<3>,1|C<4>,1|H<1>,1|N<4>,1|S<2>,2|O<2>}	C[5a](C[5a]B[5,5]S[5a])(C[5a]C[5a]H)(CCHH){1|C<3>,1|N<4>,2|O<2>}	109.7125	0.203	2	109.7125	0.041	2	109.7125	0.041	2	110.8793	0.597	12	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:4:	C[5]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5]C[5,5]N[5]H)(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(CH3)	C[5a](C[5]C[5,5]N[5]H)(C[5a]C[5a]C)(S[5a]C[5a]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|N<3>,2|C<4>,2|H<1>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(CH3){1|C<4>,1|N<3>,2|H<1>}	111.6510	0.000	1	111.6510	0.000	1	111.1127	0.362	10	110.8793	0.597	12	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:4:	C[5]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(CH3)	C[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]C)(S[5a]C[5a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	110.7150	0.000	1	110.7150	0.000	1	111.1127	0.362	10	110.8793	0.597	12	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:4:	C[5]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5]C[5]2Ru)(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(CH3)	C[5a](C[5]C[5]2Ru)(C[5a]C[5a]C)(S[5a]C[5a]){1|Ru<6>,1|C<5>,2|C<4>,3|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|Ru<7>,1|C<5>,1|H<1>,2|C<4>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(CH3){1|Ru<7>,1|C<4>,1|C<5>,1|H<1>}	111.1250	0.722	4	111.1250	0.521	4	111.1127	0.362	10	110.8793	0.597	12	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:4:	C[5]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(CH3)	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]C)(S[5a]C[5a]){1|N<2>,2|C<3>,4|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|N<3>,2|C<4>,2|H<1>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(CH3){1|C<4>,1|N<3>,2|H<1>}	111.3570	0.000	1	111.3570	0.000	1	111.1127	0.362	10	110.8793	0.597	12	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	4:3:2:	3:3:	3:3:4:	C[5]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5]N[5,6]C[5]H)(C[5a]C[5a]C)(S[5a]C[5a])	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(CH3)	C[5a](C[5]N[5,6]C[5]H)(C[5a]C[5a]C)(S[5a]C[5a]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	S[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|N<3>,2|C<4>,2|H<1>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(CH3){1|C<4>,1|N<3>,2|H<1>}	110.9680	0.751	3	110.9680	0.564	3	111.1127	0.362	10	110.8793	0.597	12	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	5:3:2:	3:3:	3:3:1:	C[3x3,4,3x5,14x6]-5:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[3x3,4,3x5,14x6]C[5a])(C[5a]C[5a]C)	C[5a](C[5a]C[3x3,4,3x5,14x6]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|C<5>,5|B<6>,5|H<1>}	S[5a](C[5a]C[3x3,4,3x5,14x6]C[5a])(C[5a]C[5a]C){2|H<1>,4|B<6>}	C[5a](C[5a]C[3x3,4,3x5,14x6]S[5a])(C[5a]C[5a]H)(H){1|C<3>,4|B<6>}	111.6050	0.021	2	111.6050	0.000	2	111.1230	0.258	6	111.1230	0.258	6	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	5:3:2:	3:3:	3:3:1:	C[3x3,4,3x5,14x6]-5:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[3x3,4,3x5,14x6]C[5a])(C[5a]C[5a]C[5])	C[5a](C[5a]C[3x3,4,3x5,14x6]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|C<5>,5|B<6>,5|H<1>}	S[5a](C[5a]C[3x3,4,3x5,14x6]C[5a])(C[5a]C[5a]C[5]){1|Fe<10>,2|C<4>,2|H<1>,4|B<6>}	C[5a](C[5a]C[3x3,4,3x5,14x6]S[5a])(C[5a]C[5a]H)(H){1|C<4>,4|B<6>}	110.9810	0.434	2	110.9810	0.188	2	111.1230	0.258	6	111.1230	0.258	6	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	5:3:2:	3:3:	3:3:1:	C[3x3,4,3x5,14x6]-5:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5a]C[5a]H)(S[5a]C[5a])	S[5a](C[5a]C[3x3,4,3x5,14x6]C[5a])2	C[5a](C[5a]C[3x3,4,3x5,14x6]S[5a])(C[5a]C[5a]H)(H)	C[5a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5a]C[5a]H)(S[5a]C[5a]){2|C<5>,5|B<6>,5|H<1>}	S[5a](C[5a]C[3x3,4,3x5,14x6]C[5a])2{2|H<1>,8|B<6>}	C[5a](C[5a]C[3x3,4,3x5,14x6]S[5a])(C[5a]C[5a]H)(H){1|C<5>,4|B<6>}	110.7830	0.602	2	110.7830	0.363	2	111.1230	0.258	6	111.1230	0.258	6	111.5535	4.296	8274	111.8219	7.660	12453
727	181	727	5:SP2_SP2_SP2	C[5a]	S[5a]	C[5a]	6:3:2:	3:3:	3:3:1:	B[5x3,5x5,20x6]-6:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a,6a]-3:	C[5a]-3:C[5a,6a]-3:H-1:	C[5a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5a]C[5a,6a]H)(S[5a]C[5a,6a])	S[5a](C[5a]B[5x3,5x5,20x6]C[5a])(C[5a,6a]C[5a,6a]C[6a])	C[5a](C[5a]B[5x3,5x5,20x6]S[5a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5a]C[5a,6a]H)(S[5a]C[5a,6a]){1|C<6>,2|C<3>,4|B<6>,5|H<1>}	S[5a](C[5a]B[5x3,5x5,20x6]C[5a])(C[5a,6a]C[5a,6a]C[6a]){1|C<6>,2|C<3>,2|H<1>,4|B<6>}	C[5a](C[5a]B[5x3,5x5,20x6]S[5a])(C[5a,6a]C[5a,6a]C[6a])(H){1|C<6>,1|H<1>,2|C<3>,4|B<6>}	111.2657	0.375	4	111.2657	0.141	4	111.2657	0.141	4	111.2657	0.141	4	111.5535	4.296	8274	111.8219	7.660	12453