727	727	959	0:SP2_SP2_SP3	C[5,5a]	C[5,5a]	S[5]	3:3:4:	3:3:4:	3:3:1:1:	C[5,5a]-3:C[5,5a]-3:S[5]-4:	C[5,5a]-3:C[5,5a]-3:S[5]-4:	C[5,5a]-3:C[5]-3:O-1:O-1:	C[5,5a](C[5,5a]C[5,5a]S[5])(C[5,5a]S[5a]C[5])(S[5]C[5]OO)	C[5,5a](C[5,5a]C[5,5a]S[5])(C[5,5a]S[5a]C[5])(S[5]C[5]OO)	S[5](C[5,5a]C[5,5a]2)(C[5]C[5]C)(O)2	C[5,5a](C[5,5a]C[5,5a]S[5])(C[5,5a]S[5a]C[5])(S[5]C[5]OO){1|C<4>,1|H<1>,2|C<3>,2|O<1>}	C[5,5a](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>}	S[5](C[5,5a]C[5,5a]2)(C[5]C[5]C)(O)2{1|C<3>,1|H<1>,1|S<2>,1|S<4>}	140.3065	1.047	2	140.3065	1.097	2	140.3065	1.097	2	140.3065	1.097	2	140.3065	1.097	2	135.3988	10.060	20
727	727	959	0:SP2_SP2_SP3	C[5,5a]	C[5a,5a]	S[5]	3:3:4:	3:3:2:	3:3:1:1:	C[5a,5a]-3:C[5,5a]-3:S[5]-4:	C[5a,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5,5a]-3:O-1:O-1:	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])	S[5](C[5,5a]C[5a,5a]C[5,5a])(C[5,5a]C[5,5a]C[5a])(O)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>}	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[5](C[5,5a]C[5a,5a]C[5,5a])(C[5,5a]C[5,5a]C[5a])(O)2{1|H<1>,2|C<3>,3|S<2>}	137.4180	0.000	1	137.4180	0.000	1	137.4180	0.000	1	137.4180	0.000	1	137.4180	0.000	1	135.3988	10.060	20
727	727	959	0:SP2_SP2_SP3	C[5,5a]	C[5a,6a]	S[5]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6a]-3:C[5,5a]-3:S[5]-4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:O-1:O-1:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]S[5a])(S[5]C[5,6a]OO)	C[5a,6a](C[5,5a]C[5,5a]S[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	S[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(O)2	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>}	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>}	S[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(O)2{1|H<1>,1|S<2>,4|C<3>}	134.3800	0.283	2	134.3800	0.080	2	134.3800	0.080	2	134.3800	0.080	2	134.3800	0.080	2	135.3988	10.060	20
727	727	959	0:SP2_SP2_SP3	C[5,5a]	C[5a]	S[5]	3:3:4:	3:3:1:	3:3:1:1:	C[5,5a]-3:C[5a]-3:S[5]-4:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5]-3:O-1:O-1:	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(S[5]C[5]OO)	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]C[5a]S[5a])(H)	S[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]H)(O)2	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(S[5]C[5]OO){1|C<3>,2|H<1>}	C[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>}	S[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]H)(O)2{1|C<3>,1|S<2>,2|H<1>}	137.1300	0.000	1	137.1300	0.000	1	136.7390	0.378	3	136.7390	0.378	3	135.4824	1.172	14	135.3988	10.060	20
727	727	959	0:SP2_SP2_SP3	C[5,5a]	C[5a]	S[5]	3:3:4:	3:3:1:	3:3:1:1:	C[5,5a]-3:C[5a]-3:S[5]-4:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5]-3:O-1:O-1:	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(S[5]C[5]OO)	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]S[5a]H)(H)	S[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]2)(O)2	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(S[5]C[5]OO){1|C<3>,2|H<1>}	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]S[5a]H)(H){2|C<3>,2|O<1>}	S[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]2)(O)2{1|S<2>,1|S<4>,2|C<3>,2|H<1>}	136.0300	0.000	1	136.0300	0.000	1	136.7390	0.378	3	136.7390	0.378	3	135.4824	1.172	14	135.3988	10.060	20
727	727	959	0:SP2_SP2_SP3	C[5,5a]	C[5a]	S[5]	3:3:4:	3:3:1:	3:3:1:1:	C[5,5a]-3:C[5a]-3:S[5]-4:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5]-3:O-1:O-1:	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(S[5]C[5]OO)	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]S[5a]H)(H)	S[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5a]C[5])(O)2	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(S[5]C[5]OO){1|C<3>,2|H<1>}	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]S[5a]H)(H){2|C<3>,2|O<1>}	S[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5a]C[5])(O)2{2|C<3>,2|H<1>,2|S<2>}	137.0570	0.000	1	137.0570	0.000	1	136.7390	0.378	3	136.7390	0.378	3	135.4824	1.172	14	135.3988	10.060	20
727	727	959	0:SP2_SP2_SP3	C[5,5a]	C[5a]	S[5]	3:3:4:	3:3:3:	3:3:1:1:	C[5,5a]-3:C[5a]-3:S[5]-4:	C[5,5a]-3:C[5a]-3:C[6a]-3:	C[5,5a]-3:C[5]-3:O-1:O-1:	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]C[6a])(S[5]C[5]OO)	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]C[6a]S[5a])(C[6a]C[6a]2)	S[5](C[5,5a]C[5,5a]C[5a])(C[5]C[6a]C[5])(O)2	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]C[6a])(S[5]C[5]OO){5|C<3>}	C[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>}	S[5](C[5,5a]C[5,5a]C[5a])(C[5]C[6a]C[5])(O)2{1|S<2>,5|C<3>}	135.2910	0.301	2	135.2910	0.091	2	135.2910	0.091	2	136.0123	1.606	3	135.4824	1.172	14	135.3988	10.060	20
727	727	959	0:SP2_SP2_SP3	C[5,5a]	C[5a]	S[5]	3:3:4:	3:3:3:	3:3:1:1:	C[5,5a]-3:C[5a]-3:S[5]-4:	C[5a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:O-1:O-1:	C[5,5a](C[5,5a]C[5a,6a]C[5,6a])(C[5a]C[5a,6a]C[6a])(S[5]C[5,6a]OO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]S[5])(C[6a]C[6a]2)	S[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(O)2	C[5,5a](C[5,5a]C[5a,6a]C[5,6a])(C[5a]C[5a,6a]C[6a])(S[5]C[5,6a]OO){6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]S[5])(C[6a]C[6a]2){1|H<1>,2|C<4>,2|O<1>,6|C<3>}	S[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(O)2{1|H<1>,5|C<3>}	137.4550	0.000	1	137.4550	0.000	1	137.4550	0.000	1	136.0123	1.606	3	135.4824	1.172	14	135.3988	10.060	20
727	727	959	0:SP2_SP2_SP3	C[5,5a]	C[5a]	S[5]	3:4:3:	3:3:1:	3:3:1:1:	C[5,5a]-3:S[5]-4:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5,5a]-3:O-1:O-1:	C[5,5a](C[5,5a]C[5,5a]S[5a])(S[5]C[5,5a]OO)(C[5a]C[5a]H)	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]C[6a]S[5a])(H)	S[5](C[5,5a]C[5,5a]C[5a])2(O)2	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>}	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]C[6a]S[5a])(H){2|O<1>,4|C<3>}	S[5](C[5,5a]C[5,5a]C[5a])2(O)2{2|C<3>,2|H<1>,2|S<2>}	134.8115	0.368	2	134.8115	0.136	2	134.8170	0.293	5	134.9432	0.330	6	135.4824	1.172	14	135.3988	10.060	20
727	727	959	0:SP2_SP2_SP3	C[5,5a]	C[5a]	S[5]	3:4:3:	3:3:1:	3:3:1:1:	C[5,5a]-3:S[5]-4:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5,5a]-3:O-1:O-1:	C[5,5a](C[5,5a]C[5,5a]S[5a])(S[5]C[5,5a]OO)(C[5a]C[5a]H)	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]S[5a]C)(H)	S[5](C[5,5a]C[5,5a]C[5a])2(O)2	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>}	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]S[5a]C)(H){2|C<3>,2|O<1>}	S[5](C[5,5a]C[5,5a]C[5a])2(O)2{2|C<3>,2|H<1>,2|S<2>}	134.9580	0.000	1	134.9580	0.000	1	134.8170	0.293	5	134.9432	0.330	6	135.4824	1.172	14	135.3988	10.060	20
727	727	959	0:SP2_SP2_SP3	C[5,5a]	C[5a]	S[5]	3:4:3:	3:3:1:	3:3:1:1:	C[5,5a]-3:S[5]-4:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5,5a]-3:O-1:O-1:	C[5,5a](C[5,5a]C[5,5a]S[5a])(S[5]C[5,5a]OO)(C[5a]C[5a]H)	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]S[5a]H)(H)	S[5](C[5,5a]C[5a,5a]C[5,5a])(C[5,5a]C[5,5a]C[5a])(O)2	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>}	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]S[5a]H)(H){2|C<3>,2|O<1>}	S[5](C[5,5a]C[5a,5a]C[5,5a])(C[5,5a]C[5,5a]C[5a])(O)2{1|H<1>,2|C<3>,3|S<2>}	135.4620	0.000	1	135.4620	0.000	1	134.8170	0.293	5	134.9432	0.330	6	135.4824	1.172	14	135.3988	10.060	20
727	727	959	0:SP2_SP2_SP3	C[5,5a]	C[5a]	S[5]	3:4:3:	3:3:1:	3:3:1:1:	C[5,5a]-3:S[5]-4:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5,5a]-3:O-1:O-1:	C[5,5a](C[5,5a]C[5,5a]S[5a])(S[5]C[5,5a]OO)(C[5a]C[5a]H)	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]S[5a]Si)(H)	S[5](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5,5a]2)(O)2	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>}	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]S[5a]Si)(H){2|C<3>,2|O<1>}	S[5](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5,5a]2)(O)2{1|H<1>,1|S<4>,2|C<3>,2|S<2>}	134.0420	0.000	1	134.0420	0.000	1	134.8170	0.293	5	134.9432	0.330	6	135.4824	1.172	14	135.3988	10.060	20
727	727	959	0:SP2_SP2_SP3	C[5,5a]	C[5a]	S[5]	3:4:3:	3:3:1:	3:3:1:1:	C[5,5a]-3:S[5]-4:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:O-1:O-1:	C[5,5a](C[5,5a]C[5,6a]S[5a])(S[5]C[5,6a]OO)(C[5a]C[5a]H)	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]S[5a]C)(H)	S[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(O)2	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>}	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]S[5a]C)(H){2|C<3>,2|O<1>}	S[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(O)2{1|S<2>,2|H<1>,3|C<3>}	135.5740	0.000	1	135.5740	0.000	1	135.5740	0.000	1	134.9432	0.330	6	135.4824	1.172	14	135.3988	10.060	20
727	727	959	0:SP2_SP2_SP3	C[5,5a]	C[5a]	S[5]	3:4:3:	3:3:4:	3:3:1:1:	C[5,5a]-3:S[5]-4:C[5a]-3:	C[5,5a]-3:C[5a]-3:C-4:	C[5,5a]-3:C[5,5a]-3:O-1:O-1:	C[5,5a](C[5,5a]C[5,5a]S[5a])(S[5]C[5,5a]OO)(C[5a]C[5a]C)	C[5a](C[5,5a]C[5,5a]S[5])(C[5a]C[5a]S[5a])(CH3)	S[5](C[5,5a]C[5,5a]C[5a])2(O)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>}	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>}	S[5](C[5,5a]C[5,5a]C[5a])2(O)2{2|C<3>,2|C<4>,2|S<2>}	134.4205	0.204	2	134.4205	0.042	2	134.4205	0.042	2	134.4205	0.042	2	135.4824	1.172	14	135.3988	10.060	20
727	727	959	0:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5,6a]-3:S[5]-4:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:O-1:O-1:	C[5,6a](C[5,6a]C[5,6a]2)2(S[5]C[5,6a]OO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]S[5])	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(O)2	C[5,6a](C[5,6a]C[5,6a]2)2(S[5]C[5,6a]OO){2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]S[5]){1|H<1>,2|C<4>,2|O<1>,6|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(O)2{1|H<1>,5|C<3>}	124.4310	0.000	1	124.4310	0.000	1	124.4310	0.000	1	124.4310	0.000	1	124.4310	0.000	1	135.3988	10.060	20
727	727	959	5:SP2_SP2_SP3	C[5,5a]	C[5,5a]	S[5]	3:3:4:	3:2:3:	3:3:1:1:	C[5,5a]-3:C[5,5a]-3:S[5]-4:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5,5a]-3:C[5]-3:O-1:O-1:	C[5,5a](C[5,5a]C[5,5a]S[5])(C[5,5a]S[5a]C[5])(S[5]C[5]OO)	C[5,5a](C[5,5a]C[5,5a]S[5])(S[5a]C[5,5a])(C[5]C[5]H)	S[5](C[5,5a]C[5,5a]2)(C[5]C[5]C)(O)2	C[5,5a](C[5,5a]C[5,5a]S[5])(C[5,5a]S[5a]C[5])(S[5]C[5]OO){1|C<4>,1|H<1>,2|C<3>,2|O<1>}	C[5,5a](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[5](C[5,5a]C[5,5a]2)(C[5]C[5]C)(O)2{1|C<3>,1|H<1>,1|S<2>,1|S<4>}	107.5875	0.730	2	107.5875	0.534	2	107.5875	0.534	2	107.9416	0.271	5	110.9602	33.157	21	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,5a]	C[5,5a]	S[5]	3:3:4:	3:2:3:	3:3:1:1:	C[5,5a]-3:C[5a]-3:S[5]-4:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5,5a]-3:C[5]-3:O-1:O-1:	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)	S[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]2)(O)2	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(S[5]C[5]OO){1|C<3>,2|H<1>}	C[5,5a](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[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]2)(O)2{1|S<2>,1|S<4>,2|C<3>,2|H<1>}	108.4650	0.000	1	108.4650	0.000	1	108.1777	0.066	3	107.9416	0.271	5	110.9602	33.157	21	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,5a]	C[5,5a]	S[5]	3:3:4:	3:2:3:	3:3:1:1:	C[5,5a]-3:C[5a]-3:S[5]-4:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5,5a]-3:C[5]-3:O-1:O-1:	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)	S[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]H)(O)2	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(S[5]C[5]OO){1|C<3>,2|H<1>}	C[5,5a](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[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]H)(O)2{1|C<3>,1|S<2>,2|H<1>}	107.9700	0.000	1	107.9700	0.000	1	108.1777	0.066	3	107.9416	0.271	5	110.9602	33.157	21	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,5a]	C[5,5a]	S[5]	3:3:4:	3:2:3:	3:3:1:1:	C[5,5a]-3:C[5a]-3:S[5]-4:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5,5a]-3:C[5]-3:O-1:O-1:	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)	S[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5a]C[5])(O)2	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(S[5]C[5]OO){1|C<3>,2|H<1>}	C[5,5a](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[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5a]C[5])(O)2{2|C<3>,2|H<1>,2|S<2>}	108.0980	0.000	1	108.0980	0.000	1	108.1777	0.066	3	107.9416	0.271	5	110.9602	33.157	21	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,5a]	C[5,5a]	S[5]	3:3:4:	3:3:2:	3:3:1:1:	C[5,5a]-3:C[5,5a]-3:S[5]-4:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5,5a]-3:O-1:O-1:	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])	S[5](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5,5a]2)(O)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){1|S<2>,2|O<1>,3|C<3>}	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[5](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5,5a]2)(O)2{1|H<1>,1|S<4>,2|C<3>,2|S<2>}	111.3260	0.000	1	111.3260	0.000	1	111.3260	0.000	1	109.8427	1.652	6	110.9602	33.157	21	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,5a]	C[5,5a]	S[5]	3:3:4:	3:3:2:	3:3:1:1:	C[5,5a]-3:C[5a]-3:S[5]-4:	C[5,5a]-3:C[5]-3:S[5a]-2:	C[5,5a]-3:C[5]-3:O-1:O-1:	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])	S[5](C[5,5a]C[5,5a]C[5a])(C[5]C[6a]C[5])(O)2	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]C[6a])(S[5]C[5]OO){5|C<3>}	C[5,5a](C[5,5a]C[5a]S[5])(C[5]C[6a]C[5])(S[5a]C[5a]){2|O<1>,5|C<3>}	S[5](C[5,5a]C[5,5a]C[5a])(C[5]C[6a]C[5])(O)2{1|S<2>,5|C<3>}	108.2900	0.270	2	108.2900	0.073	2	108.2900	0.073	2	109.8427	1.652	6	110.9602	33.157	21	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,5a]	C[5,5a]	S[5]	3:3:4:	3:3:2:	3:3:1:1:	C[5a,5a]-3:C[5,5a]-3:S[5]-4:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5,5a]-3:O-1:O-1:	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])	S[5](C[5,5a]C[5a,5a]C[5,5a])(C[5,5a]C[5,5a]C[5a])(O)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>}	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[5](C[5,5a]C[5a,5a]C[5,5a])(C[5,5a]C[5,5a]C[5a])(O)2{1|H<1>,2|C<3>,3|S<2>}	110.3300	0.000	1	110.3300	0.000	1	110.3300	0.000	1	109.8427	1.652	6	110.9602	33.157	21	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,5a]	C[5,5a]	S[5]	3:3:4:	3:3:2:	3:3:1:1:	C[5a,6a]-3:C[5,5a]-3:S[5]-4:	C[5,5a]-3:C[5,6a]-3:S[5a]-2:	C[5,5a]-3:C[5,6a]-3:O-1:O-1:	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])	S[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(O)2	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>}	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[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(O)2{1|H<1>,1|S<2>,4|C<3>}	110.4100	0.535	2	110.4100	0.286	2	110.4100	0.286	2	109.8427	1.652	6	110.9602	33.157	21	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,5a]	C[5,5a]	S[5]	3:3:4:	3:3:3:	3:3:1:1:	C[5,5a]-3:C[5a]-3:S[5]-4:	C[5a,6a]-3:C[5,6a]-3:C[5,5a]-3:	C[5,5a]-3:C[5,6a]-3:O-1:O-1:	C[5,5a](C[5,5a]C[5a,6a]C[5,6a])(C[5a]C[5a,6a]C[6a])(S[5]C[5,6a]OO)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]S[5])	S[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(O)2	C[5,5a](C[5,5a]C[5a,6a]C[5,6a])(C[5a]C[5a,6a]C[6a])(S[5]C[5,6a]OO){6|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]S[5]){2|H<1>,2|O<1>,5|C<3>}	S[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(O)2{1|H<1>,5|C<3>}	110.9090	0.000	1	110.9090	0.000	1	110.9090	0.000	1	110.9090	0.000	1	110.9602	33.157	21	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,5a]	C[5,5a]	S[5]	3:3:4:	3:3:4:	3:3:1:1:	C[5,5a]-3:C[5,5a]-3:S[5]-4:	C[5,5a]-3:C[5,5a]-3:S[5]-4:	C[5,5a]-3:C[5,5a]-3:O-1:O-1:	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[5]C[5,5a]OO)	S[5](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5,5a]2)(O)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){1|S<2>,2|O<1>,3|C<3>}	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>}	S[5](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5,5a]2)(O)2{1|H<1>,1|S<4>,2|C<3>,2|S<2>}	135.4320	0.000	1	135.4320	0.000	1	135.4320	0.000	1	135.4320	0.000	1	110.9602	33.157	21	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,5a]	C[5,5a]	S[5]	3:4:3:	3:3:2:	3:3:1:1:	C[5,5a]-3:S[5]-4:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5,5a]-3:O-1:O-1:	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])	S[5](C[5,5a]C[5,5a]C[5a])2(O)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>}	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[5](C[5,5a]C[5,5a]C[5a])2(O)2{2|C<3>,2|C<4>,2|S<2>}	110.7360	0.317	2	110.7360	0.100	2	110.7197	0.098	7	110.6324	0.145	8	110.9602	33.157	21	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,5a]	C[5,5a]	S[5]	3:4:3:	3:3:2:	3:3:1:1:	C[5,5a]-3:S[5]-4:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5,5a]-3:O-1:O-1:	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])	S[5](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5,5a]2)(O)2	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>}	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[5](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5,5a]2)(O)2{1|H<1>,1|S<4>,2|C<3>,2|S<2>}	111.2170	0.000	1	111.2170	0.000	1	110.7197	0.098	7	110.6324	0.145	8	110.9602	33.157	21	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,5a]	C[5,5a]	S[5]	3:4:3:	3:3:2:	3:3:1:1:	C[5,5a]-3:S[5]-4:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5,5a]-3:O-1:O-1:	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])	S[5](C[5,5a]C[5,5a]C[5a])2(O)2	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>}	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[5](C[5,5a]C[5,5a]C[5a])2(O)2{2|C<3>,2|H<1>,2|S<2>}	110.6520	0.242	3	110.6520	0.058	3	110.7197	0.098	7	110.6324	0.145	8	110.9602	33.157	21	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,5a]	C[5,5a]	S[5]	3:4:3:	3:3:2:	3:3:1:1:	C[5,5a]-3:S[5]-4:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5,5a]-3:O-1:O-1:	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])	S[5](C[5,5a]C[5a,5a]C[5,5a])(C[5,5a]C[5,5a]C[5a])(O)2	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>}	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[5](C[5,5a]C[5a,5a]C[5,5a])(C[5,5a]C[5,5a]C[5a])(O)2{1|H<1>,2|C<3>,3|S<2>}	110.3930	0.000	1	110.3930	0.000	1	110.7197	0.098	7	110.6324	0.145	8	110.9602	33.157	21	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,5a]	C[5,5a]	S[5]	3:4:3:	3:3:2:	3:3:1:1:	C[5,5a]-3:S[5]-4:C[5a]-3:	C[5,6a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5,6a]-3:O-1:O-1:	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])	S[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(O)2	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>}	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[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(O)2{1|S<2>,2|H<1>,3|C<3>}	110.0210	0.000	1	110.0210	0.000	1	110.0210	0.000	1	110.6324	0.145	8	110.9602	33.157	21	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a,6a]	S[5]	3:4:3:	3:3:3:	3:3:1:1:	C[5,6a,6a]-3:S[5]-4:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:O-1:O-1:	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(S[5]C[5,6a]OO)(C[6a]C[6a]O)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])2(C[5,6a]C[6a]S[5])	S[5](C[5,6a]C[5,6a,6a]C[6a])2(O)2	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(S[5]C[5,6a]OO)(C[6a]C[6a]O){1|O<2>,4|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])2(C[5,6a]C[6a]S[5]){1|O<2>,1|S<4>,2|O<1>,5|C<3>}	S[5](C[5,6a]C[5,6a,6a]C[6a])2(O)2{2|O<2>,4|C<3>}	104.9972	0.371	6	104.9972	0.138	6	104.9972	0.138	6	104.9972	0.138	6	104.9972	0.138	6	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:2:4:	3:2:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:N[6a]-2:C[5]-4:	C[5,6a]-3:O[5]-2:O-1:O-1:	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]N[5a,6a]H)(S[5]O[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5a,6a])(C[5]O[5]CC)	S[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)2	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]N[5a,6a]H)(S[5]O[5]OO){1|C<3>,1|N<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5a,6a])(C[5]O[5]CC){1|C<3>,1|H<1>,1|N<3>,2|O<1>}	S[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)2{1|H<1>,1|N<2>,1|N<3>,2|C<4>}	109.0340	0.000	1	109.0340	0.000	1	109.0340	0.000	1	109.0340	0.000	1	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:2:4:	3:4:1:1:	C[6a]-3:C[5,6a]-3:S[5]-4:	C[5,6a]-3:N[6a]-2:C[5]-4:	C[5,6a]-3:C[5]-4:O-1:O-1:	C[5,6a](C[6a]C[5a,6a]C[6a])(C[5,6a]N[6a]C[5])(S[5]C[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5a,6a])(C[5]C[5]HH)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O)2	C[5,6a](C[6a]C[5a,6a]C[6a])(C[5,6a]N[6a]C[5])(S[5]C[5]OO){4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5a,6a])(C[5]C[5]HH){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O)2{1|N<2>,2|C<3>,2|H<1>}	109.7620	0.000	1	109.7620	0.000	1	109.7620	0.000	1	109.7620	0.000	1	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:2:	3:2:4:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:I[5]-2:	C[5,6a]-3:N[5]-2:C-4:O-1:	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(S[5]N[5]CO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(I[5]N[5])	S[5](C[5,6a]C[5,6a]C[6a])(N[5]I[5])(CF3)(O)	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(S[5]N[5]CO){1|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(I[5]N[5]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]I[5])(CF3)(O){1|H<1>,2|C<3>}	116.7210	0.000	1	116.7210	0.000	1	116.7210	0.000	1	116.7210	0.000	1	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:3:	3:2:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-2:O-1:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(O)2{1|C<4>,1|H<1>,2|C<3>}	107.2565	0.125	2	107.2253	0.011	3	107.3395	0.057	6	107.0170	0.467	115	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:3:	3:2:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-2:O-1:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(O)2{1|H<1>,3|C<3>}	107.1630	0.000	1	107.2253	0.011	3	107.3395	0.057	6	107.0170	0.467	115	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:3:	3:2:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-2:O-1:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6]N[5])(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(O)2{1|C<4>,1|H<1>,2|C<3>}	107.5600	0.000	1	107.5600	0.000	1	107.3395	0.057	6	107.0170	0.467	115	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:3:	3:2:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-2:O-1:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5])(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(O)2{1|H<1>,3|C<3>}	107.4005	0.412	2	107.4005	0.170	2	107.3395	0.057	6	107.0170	0.467	115	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:3:	3:2:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-2:O-1:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,2|H<1>,2|O<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(O)2{1|C<4>,1|H<1>,2|C<3>}	106.8170	0.000	1	107.2592	0.212	4	106.9373	0.282	107	107.0170	0.467	115	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:3:	3:2:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-2:O-1:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,2|H<1>,2|O<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(O)2{1|H<1>,3|C<3>}	107.4067	0.434	3	107.2592	0.212	4	106.9373	0.282	107	107.0170	0.467	115	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:3:	3:2:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-2:O-1:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]N)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|N<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,2|H<1>,2|O<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(O)2{1|H<1>,1|N<2>,2|C<3>}	106.4300	0.000	1	107.3232	0.295	11	106.9373	0.282	107	107.0170	0.467	115	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:3:	3:2:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-2:O-1:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]N)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,2|H<1>,2|O<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(O)2{1|H<1>,1|N<3>,2|C<3>}	107.4125	0.480	10	107.3232	0.295	11	106.9373	0.282	107	107.0170	0.467	115	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:3:	3:2:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-2:O-1:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|O<1>,2|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,2|H<1>,2|O<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(O)2{1|H<1>,1|O<1>,2|C<3>}	106.8369	0.546	73	106.8691	0.263	89	106.9373	0.282	107	107.0170	0.467	115	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:3:	3:2:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-2:O-1:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,2|H<1>,2|O<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(O)2{1|H<1>,1|O<2>,2|C<3>}	107.0162	0.290	16	106.8691	0.263	89	106.9373	0.282	107	107.0170	0.467	115	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:3:	3:2:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-2:O-1:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]S)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|S<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]S){1|C<3>,2|H<1>,2|O<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(O)2{1|H<1>,1|S<2>,2|C<3>}	107.1163	0.546	3	107.1163	0.298	3	106.9373	0.282	107	107.0170	0.467	115	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:3:	3:2:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:O[5]-2:O-1:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]O[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]O[5]N)	S[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]O[5]OO){1|C<3>,1|N<1>,2|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]O[5]N){1|C<3>,2|H<1>,2|O<1>}	S[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)2{1|H<1>,1|N<1>,2|C<3>}	110.3130	0.000	2	110.3130	0.000	2	110.3130	0.000	2	107.0170	0.467	115	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:3:	3:2:4:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-2:C-4:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]CO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CF3)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]CO){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CF3)(O){1|H<1>,3|C<3>}	105.5360	0.000	1	105.5360	0.000	1	105.7590	0.099	2	105.7590	0.099	2	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:3:	3:2:4:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-2:C-4:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]CO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CH3)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]CO){1|C<3>,1|O<1>,2|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CH3)(O){1|H<1>,1|O<1>,2|C<3>}	105.9820	0.000	1	105.9820	0.000	1	105.7590	0.099	2	105.7590	0.099	2	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[4,6a]-3:S[5]-4:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[5,6a]C[5])(C[4,6a]C[4,6a]2)(S[5]C[5]OO)	C[5,6a](C[5,6a]C[4,6a]S[5])(C[5,6a]C[5,6a]C[5])(C[5]C[5]H)	S[5](C[5,6a]C[4,6a]C[5,6a])(C[5]C[5]Si)(O)2	C[5,6a](C[5,6a]C[5,6a]C[5])(C[4,6a]C[4,6a]2)(S[5]C[5]OO){1|Si<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[4,6a]S[5])(C[5,6a]C[5,6a]C[5])(C[5]C[5]H){1|Si<4>,1|H<1>,1|S<4>,2|O<1>,3|C<3>}	S[5](C[5,6a]C[4,6a]C[5,6a])(C[5]C[5]Si)(O)2{1|H<1>,3|C<3>}	108.7190	0.047	2	108.7190	0.002	2	108.7190	0.002	2	109.5916	1.255	167	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[4,6a]-3:S[5]-4:	C[5a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[4,6a]C[4,6a]2)(S[5]C[5]OO)	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[4,6a]S[5])(C[5]C[5]H)	S[5](C[5,6a]C[4,6a]C[5,6a])(C[5]C[5]Si)(O)2	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[4,6a]C[4,6a]2)(S[5]C[5]OO){1|Si<4>,1|H<1>,4|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[4,6a]S[5])(C[5]C[5]H){1|Si<4>,1|H<1>,1|S<2>,2|O<1>,3|C<3>}	S[5](C[5,6a]C[4,6a]C[5,6a])(C[5]C[5]Si)(O)2{1|H<1>,3|C<3>}	108.8875	0.088	2	108.8875	0.008	2	108.8875	0.008	2	109.5916	1.255	167	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5,6a]-3:S[5]-4:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:O-1:O-1:	C[5,6a](C[5,6a]C[5,6a]2)2(S[5]C[5,6a]OO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]S[5])	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(O)2	C[5,6a](C[5,6a]C[5,6a]2)2(S[5]C[5,6a]OO){2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]S[5]){1|H<1>,2|C<4>,2|O<1>,6|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(O)2{1|H<1>,5|C<3>}	111.4130	0.000	1	111.4130	0.000	1	111.4130	0.000	1	109.5916	1.255	167	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5]-3:C[5,6a]-3:O-1:O-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]H)(S[5]C[5,5]OO)	C[5,6a](C[5,5]C[5,5]Si[5])(C[5,6a]C[6a]S[5])(C[6a]C[5,6a]H)	S[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(O)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]H)(S[5]C[5,5]OO){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]Si[5])(C[5,6a]C[6a]S[5])(C[6a]C[5,6a]H){1|H<1>,1|S<4>,2|C<4>,2|O<1>,3|C<3>}	S[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(O)2{1|Si<4>,1|H<1>,4|C<3>}	109.2550	0.000	1	109.2550	0.000	1	109.2550	0.000	1	109.5916	1.255	167	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:O-1:O-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H)(S[5]C[5,6a]OO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a,6a]H)	S[5](C[5,6a]C[5,6a]C[6a])2(O)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H)(S[5]C[5,6a]OO){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a,6a]H){1|H<1>,2|O<1>,5|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])2(O)2{1|H<1>,5|C<3>}	111.5520	0.027	2	111.5520	0.001	2	110.3027	4.683	3	109.5916	1.255	167	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:O-1:O-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C[6])(S[5]C[5,6a]OO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])2(O)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C[6])(S[5]C[5,6a]OO){1|Pt<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])2(O)2{1|H<1>,5|C<3>}	107.8040	0.000	1	107.8040	0.000	1	110.3027	4.683	3	109.5916	1.255	167	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5a]C[5])(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,2|O<1>,3|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(O)2{1|H<1>,1|N<2>,4|C<3>}	109.8010	0.000	1	109.3925	0.089	6	109.3315	0.207	15	109.5916	1.255	167	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5a]C[5])(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|S<2>,2|H<1>,2|O<1>,3|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(O)2{1|H<1>,1|S<2>,4|C<3>}	109.1410	0.000	1	109.3925	0.089	6	109.3315	0.207	15	109.5916	1.255	167	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5a]C[5])(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5a]C[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(O)2{1|H<1>,5|C<3>}	109.3533	0.265	4	109.3925	0.089	6	109.3315	0.207	15	109.5916	1.255	167	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,2|C<4>,2|O<1>,3|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)2{1|H<1>,3|C<3>}	110.0300	0.000	1	110.0300	0.000	1	109.3315	0.207	15	109.5916	1.255	167	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)2{1|H<1>,5|C<3>}	109.1985	0.507	8	109.1985	0.257	8	109.3315	0.207	15	109.5916	1.255	167	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:O-1:O-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(S[5]C[5,6a]OO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5])	S[5](C[5,6a]C[5,6a]C[6a])2(O)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(S[5]C[5,6a]OO){7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5]){1|H<1>,2|O<1>,7|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])2(O)2{1|H<1>,5|C<3>}	110.6132	0.142	4	110.6132	0.020	4	110.6132	0.020	4	109.5916	1.255	167	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(S[5]C[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]O)(C[5]C[5]H)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(S[5]C[5]OO){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]O)(C[5]C[5]H){1|O<2>,1|S<4>,2|C<3>,2|O<1>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)2{1|H<1>,1|O<2>,4|C<3>}	108.9840	0.000	1	108.9840	0.000	1	109.5700	1.476	11	109.5916	1.255	167	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]2)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]2){1|S<4>,2|H<1>,2|O<1>,3|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(O)2{1|H<1>,1|S<2>,4|C<3>}	109.2430	0.000	1	109.2430	0.000	1	109.5700	1.476	11	109.5916	1.255	167	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]C)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)2{1|H<1>,3|C<3>}	109.2015	0.029	2	110.4778	2.351	4	109.5700	1.476	11	109.5916	1.255	167	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]C)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]C){2|C<3>,2|H<1>,2|O<1>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)2{1|H<1>,3|C<3>}	111.7540	0.733	2	110.4778	2.351	4	109.5700	1.476	11	109.5916	1.255	167	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]H)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO){1|C<3>,1|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)2{2|C<3>,2|H<1>}	108.6750	0.425	3	108.6750	0.181	3	109.5700	1.476	11	109.5916	1.255	167	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]H)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]H){2|C<3>,2|H<1>,2|O<1>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)2{2|H<1>,4|C<3>}	108.7790	0.000	1	108.7790	0.000	1	109.5700	1.476	11	109.5916	1.255	167	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,2|O<1>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)2{1|H<1>,1|O<2>,2|C<3>}	110.3280	0.000	1	110.3280	0.000	1	109.5700	1.476	11	109.5916	1.255	167	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|O<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2{1|H<1>,3|C<3>}	110.2050	0.000	1	109.9837	0.053	3	109.5693	1.337	125	109.5916	1.255	167	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2{1|H<1>,3|C<3>}	109.8730	0.181	2	109.9837	0.053	3	109.5693	1.337	125	109.5916	1.255	167	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,2|O<1>,3|H<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)2{1|C<4>,1|H<1>,2|C<3>}	107.2645	0.062	2	107.2645	0.004	2	109.5693	1.337	125	109.5916	1.255	167	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Br)(O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|Br<1>,1|C<3>,1|O<1>,2|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Br<1>,1|C<3>,2|H<1>,2|O<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Br)(O)2{1|H<1>,1|O<1>,2|C<3>}	110.5163	0.739	3	110.5163	0.546	3	109.5693	1.337	125	109.5916	1.255	167	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2{1|H<1>,1|O<1>,2|C<3>}	110.2121	0.358	40	110.3512	0.236	47	109.5693	1.337	125	109.5916	1.255	167	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,2|H<1>,2|O<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2{1|H<1>,1|O<1>,2|C<3>}	111.1460	0.336	7	110.3512	0.236	47	109.5693	1.337	125	109.5916	1.255	167	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	110.4030	0.000	1	110.0705	0.221	2	109.5693	1.337	125	109.5916	1.255	167	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	109.7380	0.000	1	110.0705	0.221	2	109.5693	1.337	125	109.5916	1.255	167	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|O<1>,3|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,2|O<1>,3|H<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)2{1|H<1>,1|O<1>,2|C<3>}	109.8082	0.985	25	109.8082	0.970	25	109.5693	1.337	125	109.5916	1.255	167	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]I)(O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|I<1>,1|O<1>,2|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|I<1>,2|H<1>,2|O<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]I)(O)2{1|H<1>,1|O<1>,2|C<3>}	109.1926	0.380	9	109.1926	0.144	9	109.5693	1.337	125	109.5916	1.255	167	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Mn)(O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|Mn<6>,1|C<3>,1|O<1>,2|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Mn<6>,1|C<3>,2|H<1>,2|O<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Mn)(O)2{1|H<1>,1|O<1>,2|C<3>}	107.4905	0.018	2	107.4905	0.000	2	109.5693	1.337	125	109.5916	1.255	167	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Ni)(O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|Ni<6>,1|C<3>,1|O<1>,2|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Ni<6>,1|C<3>,1|F<1>,1|H<1>,2|O<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Ni)(O)2{1|H<1>,1|O<1>,2|C<3>}	107.0160	0.000	1	106.9235	0.017	2	109.5693	1.337	125	109.5916	1.255	167	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Ni)(O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|Ni<6>,1|C<3>,1|O<1>,2|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Ni<6>,1|C<3>,2|H<1>,2|O<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Ni)(O)2{1|H<1>,1|O<1>,2|C<3>}	106.8310	0.000	1	106.9235	0.017	2	109.5693	1.337	125	109.5916	1.255	167	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Pd)(O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|Pd<3>,1|C<3>,1|O<1>,2|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Pd<3>,1|C<3>,2|H<1>,2|O<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Pd)(O)2{1|H<1>,1|O<1>,2|C<3>}	107.4755	0.128	2	108.3147	0.635	26	109.5693	1.337	125	109.5916	1.255	167	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Pd)(O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|Pd<4>,1|C<3>,1|O<1>,2|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Pd<4>,1|C<3>,2|H<1>,2|O<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Pd)(O)2{1|H<1>,1|O<1>,2|C<3>}	108.4573	0.863	18	108.3147	0.635	26	109.5693	1.337	125	109.5916	1.255	167	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Pd)(O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|Pd<4>,1|C<3>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Pd<4>,1|C<3>,2|H<1>,2|O<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Pd)(O)2{1|H<1>,1|O<2>,2|C<3>}	108.1665	0.509	6	108.3147	0.635	26	109.5693	1.337	125	109.5916	1.255	167	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|O<1>,1|S<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|S<2>,2|H<1>,2|O<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(O)2{1|H<1>,1|O<1>,2|C<3>}	110.9470	0.000	1	110.9470	0.000	1	109.5693	1.337	125	109.5916	1.255	167	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Sn)(O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|Sn<5>,1|C<3>,1|O<1>,2|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Sn<5>,1|C<3>,2|H<1>,2|O<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Sn)(O)2{1|H<1>,1|O<1>,2|C<3>}	108.8280	0.000	1	108.8280	0.000	1	109.5693	1.337	125	109.5916	1.255	167	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,2|H<1>,2|O<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)2{1|H<1>,1|O<1>,4|C<3>}	110.3815	0.213	2	110.3815	0.045	2	109.5693	1.337	125	109.5916	1.255	167	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:3:	3:3:1:1:	C[6a,6a]-3:C[5,6a]-3:S[5]-4:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:O-1:O-1:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(S[5]N[5]OO)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]S[5])(C[5]N[5]O)	S[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]C)(O)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(S[5]N[5]OO){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]S[5])(C[5]N[5]O){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	S[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]C)(O)2{1|O<1>,3|C<3>}	110.3813	0.649	3	110.3813	0.421	3	110.3813	0.421	3	109.5916	1.255	167	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:4:	3:2:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:N[5]-2:O-1:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(S[5]N[5]OO){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|Cl<1>,1|C<3>,1|H<1>,2|O<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(O)2{1|Cl<1>,4|C<3>}	109.2030	0.000	1	109.2030	0.000	1	109.1373	0.053	3	111.2041	2.226	11	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:4:	3:2:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:N[5]-2:O-1:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,2|H<1>,2|O<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(O)2{1|H<1>,2|C<3>,2|C<4>}	108.8820	0.000	1	108.8820	0.000	1	109.1373	0.053	3	111.2041	2.226	11	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:4:	3:2:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:N[5]-2:O-1:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,2|H<1>,2|O<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(O)2{1|C<4>,2|C<3>,2|H<1>}	109.3270	0.000	1	109.3270	0.000	1	109.1373	0.053	3	111.2041	2.226	11	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:4:	3:2:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:N[5]-2:O-1:O-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5]OO)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(O)2	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,2|H<1>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,2|H<1>,2|O<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(O)2{1|H<1>,2|C<3>,2|O<1>}	111.3812	0.324	4	111.3812	0.105	4	111.3812	0.105	4	111.2041	2.226	11	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:4:	3:2:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:O[5]-2:O-1:O-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]S)(S[5]O[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]S)(S[5]O[5]OO)	S[5](C[5,6a]C[5,6a]C[6a])(O[5]S[5])(O)2	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]S)(S[5]O[5]OO){1|C<3>,2|O<1>,2|S<4>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]S)(S[5]O[5]OO){1|C<3>,2|O<1>,2|S<4>}	S[5](C[5,6a]C[5,6a]C[6a])(O[5]S[5])(O)2{1|S<4>,2|C<3>,2|O<1>}	112.5770	0.674	4	112.5770	0.454	4	112.5770	0.454	4	111.2041	2.226	11	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:4:	3:3:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:N[5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2{1|C<4>,1|H<1>,3|C<3>}	110.9960	0.000	1	110.9960	0.000	1	110.3785	0.624	30	111.4571	4.243	43	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:4:	3:3:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:N[5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,2|O<1>,3|H<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)2{1|C<2>,1|H<1>,3|C<3>}	110.0800	0.000	1	110.6052	0.218	4	110.3785	0.624	30	111.4571	4.243	43	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:4:	3:3:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:N[5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,2|O<1>,3|H<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)2{1|H<1>,2|C<3>,2|C<4>}	110.3440	0.000	1	110.6052	0.218	4	110.3785	0.624	30	111.4571	4.243	43	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:4:	3:3:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:N[5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,2|O<1>,3|H<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)2{1|C<4>,1|H<1>,3|C<3>}	110.9985	0.008	2	110.6052	0.218	4	110.3785	0.624	30	111.4571	4.243	43	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:4:	3:3:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:N[5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2{1|C<4>,2|C<3>,2|H<1>}	109.1730	0.000	1	109.1730	0.000	1	110.3785	0.624	30	111.4571	4.243	43	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:4:	3:3:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:N[5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,2|O<1>,3|H<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)2{1|C<4>,2|C<3>,2|H<1>}	109.9260	0.616	3	109.9260	0.380	3	110.3785	0.624	30	111.4571	4.243	43	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:4:	3:3:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:N[5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)2{1|C<4>,2|H<1>,4|C<3>}	111.4665	0.158	2	111.4665	0.025	2	110.3785	0.624	30	111.4571	4.243	43	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:4:	3:3:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:N[5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CO)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CO){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(O)2{1|C<4>,2|H<1>,2|O<2>,3|C<3>}	110.1830	0.000	1	110.1830	0.000	1	110.3785	0.624	30	111.4571	4.243	43	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:4:	3:3:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:N[5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]HN)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]HN){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2{1|N<3>,2|C<3>,2|H<1>}	110.1680	0.510	7	110.1680	0.260	7	110.3785	0.624	30	111.4571	4.243	43	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:4:	3:3:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:N[5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]HO)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]HO){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2{1|O<2>,2|C<3>,2|H<1>}	109.5510	0.000	1	109.5510	0.000	1	110.3785	0.624	30	111.4571	4.243	43	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:4:	3:3:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:N[5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]HS)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<2>,1|C<3>,1|S<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]HS){1|C<2>,1|C<3>,2|H<1>,2|O<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2{1|S<2>,2|C<3>,2|H<1>}	111.0780	0.000	1	110.5143	0.983	10	110.3785	0.624	30	111.4571	4.243	43	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:4:	3:3:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:N[5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]HS)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]HS){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2{1|S<2>,2|C<3>,2|H<1>}	110.4517	1.030	9	110.5143	0.983	10	110.3785	0.624	30	111.4571	4.243	43	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:4:	3:3:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5]OO)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(O)2	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5]OO){2|C<3>,2|H<1>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5]OO){2|C<3>,2|H<1>,2|O<1>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(O)2{1|H<1>,2|C<3>,2|O<1>}	116.2237	0.302	4	116.2237	0.091	4	116.2237	0.091	4	111.4571	4.243	43	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:4:	3:3:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:N[5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5]OO)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[3x6]S[5])(O)2	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[3x6]S[5])(O)2{1|H<1>,2|C<3>,2|O<1>,3|C<4>}	114.4220	0.403	2	114.4220	0.162	2	113.3144	0.577	8	111.4571	4.243	43	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:4:	3:3:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:N[5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5]OO)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O)2	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5]OO){2|C<3>,2|H<1>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5]OO){2|C<3>,2|H<1>,2|O<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O)2{1|H<1>,2|C<3>,2|O<1>}	112.8055	0.296	2	112.8055	0.088	2	113.3144	0.577	8	111.4571	4.243	43	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:4:	3:3:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:N[5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5]OO)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(O)2	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,2|O<1>,3|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,2|O<1>,3|H<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(O)2{1|H<1>,2|C<3>,2|O<1>}	113.3260	0.255	2	113.3260	0.065	2	113.3144	0.577	8	111.4571	4.243	43	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:4:	3:3:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:N[5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5]OO)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]O)(O)2	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|O<2>,2|H<1>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|O<2>,2|H<1>,2|O<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]O)(O)2{1|H<1>,2|C<3>,2|O<1>}	112.7040	0.072	2	112.7040	0.005	2	113.3144	0.577	8	111.4571	4.243	43	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:4:	3:3:1:1:	C[6a,6a]-3:C[5,6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:N[5]-3:O-1:O-1:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a,6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC)	S[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]H)(O)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(S[5]N[5]OO){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC){2|C<3>,2|H<1>,2|O<1>}	S[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]H)(O)2{1|C<4>,4|C<3>}	109.8930	0.000	1	109.8930	0.000	1	109.8930	0.000	1	111.4571	4.243	43	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:3:4:	3:4:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[5]-4:O-1:O-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5]OO)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CF)(O)2	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5]OO){1|C<3>,1|C<4>,1|F<1>,2|H<1>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5]OO){1|C<3>,1|C<4>,1|F<1>,2|H<1>,2|O<1>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CF)(O)2{1|H<1>,2|C<3>,2|O<1>}	115.9900	0.229	2	115.9900	0.052	2	115.9900	0.052	2	115.9900	0.052	2	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:4:2:	3:2:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5,6a]-3:O[5]-2:O-1:O-1:	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]N[6a]H)(S[5]O[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]O[5]CC)(N[6a]C[6a])	S[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)2	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]N[6a]H)(S[5]O[5]OO){1|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]O[5]CC)(N[6a]C[6a]){1|H<1>,2|N<2>,2|O<1>}	S[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)2{1|H<1>,2|C<4>,2|N<2>}	109.6080	0.000	1	109.6080	0.000	1	109.6080	0.000	1	109.6080	0.000	1	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:4:3:	3:2:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:N[5]-2:O-1:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]2N[5])(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]2N[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,5|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(O)2{1|H<1>,4|C<3>}	111.3745	0.510	2	111.3745	0.260	2	111.3745	0.260	2	112.0270	1.407	3	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:4:3:	3:2:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:N[5]-2:O-1:O-1:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(P[5]C[6a]2N[5])(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]P[5])(O)2	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(P[5]C[6a]2N[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,5|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]P[5])(O)2{1|H<1>,4|C<3>}	113.3320	0.000	1	113.3320	0.000	1	113.3320	0.000	1	112.0270	1.407	3	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:4:3:	3:2:4:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:N[5]-2:C-4:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]CO)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CC3)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]CO){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CC3)(O){1|C<4>,1|H<1>,3|C<3>}	106.3180	0.000	1	106.3180	0.000	1	106.3180	0.000	1	106.3180	0.000	1	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:4:3:	3:3:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:N[5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(O)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|F<1>,3|H<1>,3|O<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(O)2{1|C<4>,1|H<1>,3|C<3>}	110.0220	0.000	1	110.0220	0.000	1	110.0220	0.000	1	110.4882	0.652	13	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:4:3:	3:3:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:N[5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]F)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(S[5]N[5]OO){1|C<4>,2|F<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]F){1|C<4>,2|F<1>,2|O<1>,3|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2{1|F<1>,4|C<3>}	110.8800	0.366	4	110.8800	0.134	4	110.5271	0.689	12	110.4882	0.652	13	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:4:3:	3:3:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:N[5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5]N[5]C)(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5]N[5]C)(C[6a]C[6a]H){1|C<4>,1|F<1>,2|C<3>,2|O<1>,3|H<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)2{1|C<4>,1|H<1>,3|C<3>}	111.4600	0.000	1	111.4600	0.000	1	110.5271	0.689	12	110.4882	0.652	13	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:4:3:	3:3:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:N[5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<1>,4|H<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)2{1|C<4>,2|C<3>,2|H<1>}	108.7990	0.000	1	108.7990	0.000	1	110.5271	0.689	12	110.4882	0.652	13	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:4:3:	3:3:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:N[5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5a]N[5]C)(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5a]N[5]C)(C[6a]C[6a]H){2|O<1>,3|C<3>,3|H<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)2{1|H<1>,4|C<3>}	110.4605	1.315	2	110.4605	1.728	2	110.5271	0.689	12	110.4882	0.652	13	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:4:3:	3:3:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:N[5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]2N[5])(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]2N[5])(C[6a]C[6a]H){2|O<1>,3|H<1>,5|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)2{1|H<1>,4|C<3>}	110.6645	0.841	2	110.6645	0.707	2	110.5271	0.689	12	110.4882	0.652	13	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	3:4:3:	3:3:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:N[5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]H){2|O<1>,3|C<3>,3|H<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)2{1|C<4>,1|H<1>,3|C<3>}	110.1480	0.239	2	110.1480	0.057	2	110.5271	0.689	12	110.4882	0.652	13	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	4:3:3:	3:2:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5]-2:O-1:O-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,6]C[6]N[5]S[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6])(O)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5,6a](C[5,6]C[6]N[5]S[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6])(O)2{1|C<4>,1|H<1>,1|S<2>,2|C<3>}	110.4460	0.000	1	110.4460	0.000	1	110.4460	0.000	1	110.4460	0.000	1	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	4:3:3:	3:3:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(O)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|O<1>,4|H<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(O)2{1|C<4>,1|H<1>,3|C<3>}	110.8600	0.000	1	110.8600	0.000	1	110.0427	0.599	12	110.0427	0.599	12	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	4:3:3:	3:3:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(O)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,1|I<1>,2|H<1>,2|O<1>,4|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(O)2{1|H<1>,4|C<3>}	110.0450	0.000	1	110.0450	0.000	1	110.0427	0.599	12	110.0427	0.599	12	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	4:3:3:	3:3:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(O)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|O<1>,3|C<3>,5|H<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(O)2{1|C<4>,1|H<1>,3|C<3>}	110.6450	0.000	1	109.9083	0.701	9	110.0427	0.599	12	110.0427	0.599	12	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	4:3:3:	3:3:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(O)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(O)2{1|C<4>,1|H<1>,3|C<3>}	110.3840	0.508	3	109.9083	0.701	9	110.0427	0.599	12	110.0427	0.599	12	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	4:3:3:	3:3:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(O)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,4|H<1>,5|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(O)2{1|C<4>,1|H<1>,3|C<3>}	108.8120	0.956	2	109.9083	0.701	9	110.0427	0.599	12	110.0427	0.599	12	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	4:3:3:	3:3:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(O)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]N[5]OO){3|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,3|H<1>,5|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(O)2{1|H<1>,4|C<3>}	109.9180	0.527	3	109.9083	0.701	9	110.0427	0.599	12	110.0427	0.599	12	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:3:4:	4:3:3:	3:3:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]N[5]OO)	C[5,6a](C[5,5]C[5,6a]N[5]2)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(O)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]N[5]OO){1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,6a]N[5]2)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,3|H<1>,5|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(O)2{1|H<1>,1|N<3>,3|C<3>}	110.4320	0.000	1	110.4320	0.000	1	110.0427	0.599	12	110.0427	0.599	12	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:4:3:	3:3:3:	3:3:1:1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5]-3:C[5,6a]-3:O-1:O-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]C[5,5]OO)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]P[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	S[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(O)2	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]C[5,5]OO)(C[6a]C[6a]H){1|P<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,5]P[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	S[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(O)2{1|H<1>,1|P<3>,4|C<3>}	110.3220	0.000	1	110.4520	0.034	2	110.2760	0.110	3	110.6731	0.661	84	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:4:3:	3:3:3:	3:3:1:1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5]-3:C[5,6a]-3:O-1:O-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]C[5,5]OO)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]P[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	S[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(O)2	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]C[5,5]OO)(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,5]P[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	S[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(O)2{1|H<1>,1|P<4>,4|C<3>}	110.5820	0.000	1	110.4520	0.034	2	110.2760	0.110	3	110.6731	0.661	84	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:4:3:	3:3:3:	3:3:1:1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5]-3:C[5,6a]-3:O-1:O-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]C[5,5]OO)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]Si[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	S[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(O)2	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]C[5,5]OO)(C[6a]C[6a]H){1|Si<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,5]Si[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|O<1>,3|C<3>}	S[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(O)2{1|Si<4>,1|H<1>,4|C<3>}	109.9240	0.000	1	109.9240	0.000	1	110.2760	0.110	3	110.6731	0.661	84	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:4:3:	3:3:3:	3:3:1:1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]C[5,5]OO)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(O)2	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]C[5,5]OO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(O)2{1|H<1>,5|C<3>}	112.1970	0.707	2	112.1970	0.500	2	112.1970	0.500	2	110.6731	0.661	84	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:4:3:	3:3:3:	3:3:1:1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5,5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]N[5,5]OO)(C[6a]C[6a]H)	C[5,6a](C[5,5]N[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5,6])(O)2	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]N[5,5]OO)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]N[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|O<1>,3|C<4>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5,6])(O)2{1|C<4>,2|H<1>,4|C<3>}	110.0470	0.000	1	110.0470	0.000	1	110.0470	0.000	1	110.6731	0.661	84	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:4:3:	3:3:3:	3:3:1:1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:O-1:O-1:	C[5,6a](C[5,6a]C[5,5a]C[6a])(S[5]C[5,5a]OO)(C[6a]C[6a]H)	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	S[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(O)2	C[5,6a](C[5,6a]C[5,5a]C[6a])(S[5]C[5,5a]OO)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[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>}	S[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(O)2{1|S<2>,2|H<1>,3|C<3>}	111.2530	0.000	1	111.2530	0.000	1	111.2290	1.002	4	110.6731	0.661	84	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:4:3:	3:3:3:	3:3:1:1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:O-1:O-1:	C[5,6a](C[5,6a]C[5,5a]C[6a])(S[5]C[5,5a]OO)(C[6a]C[6a]H)	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	S[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(O)2	C[5,6a](C[5,6a]C[5,5a]C[6a])(S[5]C[5,5a]OO)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[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>}	S[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(O)2{1|H<1>,1|S<2>,4|C<3>}	110.5135	0.045	2	110.5135	0.002	2	111.2290	1.002	4	110.6731	0.661	84	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:4:3:	3:3:3:	3:3:1:1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:O-1:O-1:	C[5,6a](C[5,6a]C[5,5a]C[6a])(S[5]C[5,5a]OO)(C[6a]C[6a]H)	C[5,6a](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	S[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(O)2	C[5,6a](C[5,6a]C[5,5a]C[6a])(S[5]C[5,5a]OO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	S[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(O)2{1|H<1>,5|C<3>}	112.6360	0.000	1	112.6360	0.000	1	111.2290	1.002	4	110.6731	0.661	84	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:4:3:	3:3:3:	3:3:1:1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5,5a]-3:O-1:O-1:	C[5,6a](C[5,6a]C[5,5a]C[6a])(S[5]N[5,5a]OO)(C[6a]C[6a]H)	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(O)2	C[5,6a](C[5,6a]C[5,5a]C[6a])(S[5]N[5,5a]OO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,3|C<3>,3|H<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(O)2{1|C<4>,1|H<1>,4|C<3>}	110.9190	0.000	1	110.8585	0.007	2	110.8585	0.007	2	110.6731	0.661	84	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:4:3:	3:3:3:	3:3:1:1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5,5a]-3:O-1:O-1:	C[5,6a](C[5,6a]C[5,5a]C[6a])(S[5]N[5,5a]OO)(C[6a]C[6a]H)	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(O)2	C[5,6a](C[5,6a]C[5,5a]C[6a])(S[5]N[5,5a]OO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,3|C<3>,3|H<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(O)2{1|H<1>,5|C<3>}	110.7980	0.000	1	110.8585	0.007	2	110.8585	0.007	2	110.6731	0.661	84	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:4:3:	3:3:3:	3:3:1:1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:O-1:O-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]C[5,6]OO)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]P[6,6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	S[5](C[5,6]C[5a,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(O)2	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]C[5,6]OO)(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6]C[5,6]P[6,6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,3|O<1>,4|C<3>}	S[5](C[5,6]C[5a,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(O)2{1|H<1>,1|P<4>,4|C<3>}	110.0775	0.029	2	110.0775	0.001	2	110.0775	0.001	2	110.6731	0.661	84	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:4:3:	3:3:3:	3:3:1:1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:O-1:O-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]C[5,6]OO)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O)2	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]C[5,6]OO)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>,2|O<1>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O)2{1|H<1>,1|O<2>,4|C<3>}	110.3020	0.000	1	110.3350	0.002	2	110.3350	0.002	2	110.6731	0.661	84	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:4:3:	3:3:3:	3:3:1:1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:O-1:O-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]C[5,6]OO)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O)2	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]C[5,6]OO)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O)2{1|H<1>,1|O<2>,4|C<3>}	110.3680	0.000	1	110.3350	0.002	2	110.3350	0.002	2	110.6731	0.661	84	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:4:3:	3:3:3:	3:3:1:1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5,6]-3:O-1:O-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6,6])(O)2	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6,6])(O)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	110.9880	0.397	2	110.9880	0.158	2	110.6849	0.428	14	110.6731	0.661	84	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:4:3:	3:3:3:	3:3:1:1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5,6]-3:O-1:O-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)2	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	110.1975	0.534	4	110.6459	0.518	11	110.6849	0.428	14	110.6731	0.661	84	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:4:3:	3:3:3:	3:3:1:1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5,6]-3:O-1:O-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)2	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	111.0660	0.491	3	110.6459	0.518	11	110.6849	0.428	14	110.6731	0.661	84	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:4:3:	3:3:3:	3:3:1:1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5,6]-3:O-1:O-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)2	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)2{1|C<4>,1|H<1>,4|C<3>}	110.5080	0.880	3	110.6459	0.518	11	110.6849	0.428	14	110.6731	0.661	84	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:4:3:	3:3:3:	3:3:1:1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5,6]-3:O-1:O-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)2	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)2{1|C<4>,1|H<1>,4|C<3>}	111.5930	0.000	1	110.6459	0.518	11	110.6849	0.428	14	110.6731	0.661	84	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:4:3:	3:3:3:	3:3:1:1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5,6]-3:O-1:O-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)2	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)2{1|N<2>,3|C<3>,3|H<1>}	110.5080	0.000	1	110.5080	0.000	1	110.6849	0.428	14	110.6731	0.661	84	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:4:3:	3:3:3:	3:3:1:1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5]-3:C[5,6a]-3:O-1:O-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]C[5,5]OO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5,5]C[5,5]2)(C[6a]C[6a]H)	S[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(O)2	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]C[5,5]OO)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5,5]C[5,5]2)(C[6a]C[6a]H){2|H<1>,2|O<1>,5|C<3>}	S[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(O)2{1|C<4>,1|H<1>,4|C<3>}	110.4325	0.057	2	110.4325	0.003	2	110.4325	0.003	2	110.6731	0.661	84	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:4:3:	3:3:3:	3:3:1:1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:F-1:O-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]FO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])2(F)(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]FO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,3|C<3>,3|H<1>}	S[5](C[5,6a]C[5,6a]C[6a])2(F)(O){2|H<1>,4|C<3>}	108.7708	1.240	4	108.7708	1.537	4	108.7708	1.537	4	110.6731	0.661	84	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:4:3:	3:3:3:	3:3:1:1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:O-1:O-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])2(O)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])2(O)2{2|C<4>,4|C<3>}	109.9630	0.034	2	109.9630	0.001	2	110.8012	0.392	46	110.6731	0.661	84	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:4:3:	3:3:3:	3:3:1:1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:O-1:O-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])2(O)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,3|C<3>,3|H<1>}	S[5](C[5,6a]C[5,6a]C[6a])2(O)2{2|H<1>,4|C<3>}	111.0145	0.251	2	110.8120	0.394	39	110.8012	0.392	46	110.6731	0.661	84	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:4:3:	3:3:3:	3:3:1:1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:O-1:O-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])2(O)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])2(O)2{2|H<1>,4|C<3>}	110.3575	0.313	4	110.8120	0.394	39	110.8012	0.392	46	110.6731	0.661	84	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:4:3:	3:3:3:	3:3:1:1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:O-1:O-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])2(O)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,3|C<3>,3|H<1>}	S[5](C[5,6a]C[5,6a]C[6a])2(O)2{2|H<1>,4|C<3>}	111.6670	0.000	1	110.8120	0.394	39	110.8012	0.392	46	110.6731	0.661	84	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:4:3:	3:3:3:	3:3:1:1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:O-1:O-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])2(O)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,3|C<3>,3|H<1>}	S[5](C[5,6a]C[5,6a]C[6a])2(O)2{2|H<1>,4|C<3>}	111.7087	0.109	3	110.8120	0.394	39	110.8012	0.392	46	110.6731	0.661	84	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:4:3:	3:3:3:	3:3:1:1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:O-1:O-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])2(O)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,3|C<3>,3|H<1>}	S[5](C[5,6a]C[5,6a]C[6a])2(O)2{2|H<1>,4|C<3>}	110.4380	0.325	2	110.8120	0.394	39	110.8012	0.392	46	110.6731	0.661	84	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:4:3:	3:3:3:	3:3:1:1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:O-1:O-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])2(O)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])2(O)2{2|H<1>,4|C<3>}	110.8644	0.343	9	110.8120	0.394	39	110.8012	0.392	46	110.6731	0.661	84	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:4:3:	3:3:3:	3:3:1:1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:O-1:O-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])2(O)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])2(O)2{1|H<1>,5|C<3>}	111.9610	0.000	2	110.8120	0.394	39	110.8012	0.392	46	110.6731	0.661	84	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:4:3:	3:3:3:	3:3:1:1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:O-1:O-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])2(O)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])2(O)2{2|H<1>,4|C<3>}	110.9184	0.624	7	110.8120	0.394	39	110.8012	0.392	46	110.6731	0.661	84	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:4:3:	3:3:3:	3:3:1:1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:O-1:O-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])2(O)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,3|C<3>,3|H<1>}	S[5](C[5,6a]C[5,6a]C[6a])2(O)2{1|H<1>,5|C<3>}	110.0620	0.000	1	110.8120	0.394	39	110.8012	0.392	46	110.6731	0.661	84	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:4:3:	3:3:3:	3:3:1:1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:O-1:O-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])2(O)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,3|C<3>,3|H<1>}	S[5](C[5,6a]C[5,6a]C[6a])2(O)2{2|H<1>,4|C<3>}	110.2933	0.453	8	110.8120	0.394	39	110.8012	0.392	46	110.6731	0.661	84	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:4:3:	3:3:3:	3:3:1:1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:O-1:O-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]N)	S[5](C[5,6a]C[5,6a]C[6a])2(O)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H){1|C<2>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]N){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])2(O)2{2|H<1>,4|C<3>}	110.9485	0.480	4	110.9485	0.230	4	110.8012	0.392	46	110.6731	0.661	84	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:4:3:	3:3:3:	3:3:1:1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:O-1:O-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(O)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(O)2{1|H<1>,5|C<3>}	111.4690	0.000	1	111.4690	0.000	1	110.8012	0.392	46	110.6731	0.661	84	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:4:3:	3:3:3:	3:3:1:1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:O-1:O-1:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5])	S[5](C[5,6a]C[5,6a]C[6a])2(O)2	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5]){2|H<1>,2|O<1>,6|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])2(O)2{2|H<1>,4|C<3>}	111.0400	0.000	1	111.0400	0.000	1	111.0400	0.000	1	110.6731	0.661	84	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:4:3:	3:3:3:	3:3:1:1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:O-1:O-1:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]S[5])	S[5](C[5,6a]C[5,6a]C[6a])2(O)2	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]S[5]){1|H<1>,2|O<1>,7|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])2(O)2{2|H<1>,4|C<3>}	110.3770	0.000	1	110.3770	0.000	1	110.3770	0.000	1	110.6731	0.661	84	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:4:3:	3:3:3:	3:3:2:1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:N-2:O-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]NO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])2(NC)(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]NO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,3|C<3>,3|H<1>}	S[5](C[5,6a]C[5,6a]C[6a])2(NC)(O){2|H<1>,4|C<3>}	110.7270	0.711	4	110.7270	0.506	4	110.7270	0.506	4	110.7270	0.506	4	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:4:3:	3:3:3:	3:4:1:1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:O-1:O-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]C[5,6]OO)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C)(O)2	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]C[5,6]OO)(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C)(O)2{1|C<4>,1|H<1>,1|S<4>,4|C<3>}	112.6800	0.000	1	112.6800	0.000	1	112.6800	0.000	1	112.6800	0.000	1	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:4:3:	3:4:3:	3:4:1:1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a]-3:C[4,5]-4:C[6a]-3:	C[5,6a]-3:C[4,5]-4:O-1:O-1:	C[5,6a](C[5,6a]C[4,5]C[6a])(S[5]C[4,5]OO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]S[5])(C[4,5]C[4,5]2H)(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]2C)(O)2	C[5,6a](C[5,6a]C[4,5]C[6a])(S[5]C[4,5]OO)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[4,5]C[4,5]2H)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|H<1>,2|O<1>,3|C<4>}	S[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]2C)(O)2{1|C<4>,3|C<3>,3|H<1>}	112.4490	0.310	6	112.4490	0.096	6	112.4490	0.096	6	112.4490	0.096	6	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:4:3:	4:3:3:	3:3:1:1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[3,5,6]-4:C[5,6a]-3:C[6a]-3:	N[3,5]-3:C[5,6a]-3:O-1:O-1:	C[5,6a](C[5,6a]C[3,5,6]C[6a])(S[5]N[3,5]OO)(C[6a]C[6a]H)	C[5,6a](C[3,5,6]C[3,6]N[3,5]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	S[5](N[3,5]C[3,5,6]C[3,6])(C[5,6a]C[5,6a]C[6a])(O)2	C[5,6a](C[5,6a]C[3,5,6]C[6a])(S[5]N[3,5]OO)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[3,5,6]C[3,6]N[3,5]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<1>,5|H<1>}	S[5](N[3,5]C[3,5,6]C[3,6])(C[5,6a]C[5,6a]C[6a])(O)2{1|C<4>,2|H<1>,3|C<3>}	110.8980	0.000	1	110.8980	0.000	1	110.8980	0.000	1	110.6641	0.823	30	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:4:3:	4:3:3:	3:3:1:1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[3,5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[3,5]C[6a])(S[5]N[3,5]OO)(C[6a]C[6a]H)	C[5,6a](C[3,5]N[3,5]C[3]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(N[3,5]C[3,5]C[3])(O)2	C[5,6a](C[5,6a]C[3,5]C[6a])(S[5]N[3,5]OO)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[3,5]N[3,5]C[3]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[3,5]C[3,5]C[3])(O)2{2|H<1>,4|C<3>}	110.4180	0.049	2	110.4653	0.008	3	110.2084	0.133	5	110.6641	0.823	30	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:4:3:	4:3:3:	3:3:1:1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[3,5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[3,5]C[6a])(S[5]N[3,5]OO)(C[6a]C[6a]H)	C[5,6a](C[3,5]N[3,5]C[3]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(N[3,5]C[3,5]C[3])(O)2	C[5,6a](C[5,6a]C[3,5]C[6a])(S[5]N[3,5]OO)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[3,5]N[3,5]C[3]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|I<1>,2|C<3>,2|H<1>,2|O<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[3,5]C[3,5]C[3])(O)2{1|H<1>,1|I<1>,4|C<3>}	110.5600	0.000	1	110.4653	0.008	3	110.2084	0.133	5	110.6641	0.823	30	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:4:3:	4:3:3:	3:3:1:1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[3,5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[3,5]C[6a])(S[5]N[3,5]OO)(C[6a]C[6a]H)	C[5,6a](C[3,5]N[3,5]C[3]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(N[3,5]C[3,5]C[3])(O)2	C[5,6a](C[5,6a]C[3,5]C[6a])(S[5]N[3,5]OO)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[5,6a](C[3,5]N[3,5]C[3]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|C<3>,2|O<1>,3|H<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[3,5]C[3,5]C[3])(O)2{3|C<3>,3|H<1>}	109.7220	0.000	1	109.7220	0.000	1	110.2084	0.133	5	110.6641	0.823	30	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:4:3:	4:3:3:	3:3:1:1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[3,5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[3,5]C[6a])(S[5]N[3,5]OO)(C[6a]C[6a]H)	C[5,6a](C[3,5]N[3,5]C[6a]O[3])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(N[3,5]C[3,5]O[3])(O)2	C[5,6a](C[5,6a]C[3,5]C[6a])(S[5]N[3,5]OO)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[3,5]N[3,5]C[6a]O[3])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(N[3,5]C[3,5]O[3])(O)2{1|H<1>,3|C<3>}	109.9240	0.000	1	109.9240	0.000	1	110.2084	0.133	5	110.6641	0.823	30	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:4:3:	4:3:3:	3:3:1:1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[3x5,6]-4:C[5,6a]-3:C[6a]-3:	N[5,5,6]-3:C[5,6a]-3:O-1:O-1:	C[5,6a](C[5,6a]C[3x5,6]C[6a])(S[5]N[5,5,6]OO)(C[6a]C[6a]H)	C[5,6a](C[3x5,6]C[5,6,6a]N[5,5,6]C[5,5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	S[5](N[5,5,6]C[3x5,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(O)2	C[5,6a](C[5,6a]C[3x5,6]C[6a])(S[5]N[5,5,6]OO)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[3x5,6]C[5,6,6a]N[5,5,6]C[5,5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,3|C<3>,3|C<4>,3|H<1>}	S[5](N[5,5,6]C[3x5,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(O)2{2|H<1>,3|C<3>,3|C<4>}	111.1000	0.000	1	111.1000	0.000	1	111.1000	0.000	1	110.6641	0.823	30	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:4:3:	4:3:3:	3:3:1:1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[4,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5,6]-3:O-1:O-1:	C[5,6a](C[5,6a]C[4,5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H)	C[5,6a](C[4,5,6]C[4,6a]C[4,6]N[5,6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[4,5,6]C[6])(O)2	C[5,6a](C[5,6a]C[4,5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[4,5,6]C[4,6a]C[4,6]N[5,6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[4,5,6]C[6])(O)2{1|H<1>,2|C<4>,4|C<3>}	111.1680	0.000	1	111.1680	0.000	1	111.1680	0.000	1	110.6641	0.823	30	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:4:3:	4:3:3:	3:3:1:1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[4,5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[4,5]C[6a])(S[5]N[4,5]OO)(C[6a]C[6a]H)	C[5,6a](C[4,5]N[4,5]C[4]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(N[4,5]C[4,5]C[4])(O)2	C[5,6a](C[5,6a]C[4,5]C[6a])(S[5]N[4,5]OO)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[4,5]N[4,5]C[4]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[4,5]C[4,5]C[4])(O)2{1|N<3>,2|H<1>,4|C<3>}	109.7020	0.291	2	109.7020	0.085	2	110.1543	0.656	3	110.6641	0.823	30	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:4:3:	4:3:3:	3:3:1:1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[4,5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[4,5]C[6a])(S[5]N[4,5]OO)(C[6a]C[6a]H)	C[5,6a](C[4,5]N[4,5]C[6a]C[4])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(N[4,5]C[4,5]C[4])(O)2	C[5,6a](C[5,6a]C[4,5]C[6a])(S[5]N[4,5]OO)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[4,5]N[4,5]C[6a]C[4])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,4|C<3>,4|H<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[4,5]C[4,5]C[4])(O)2{1|C<4>,1|H<1>,4|C<3>}	111.0590	0.000	1	111.0590	0.000	1	110.1543	0.656	3	110.6641	0.823	30	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:4:3:	4:3:3:	3:3:1:1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5,5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]N[5,5]OO)(C[6a]C[6a]H)	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(O)2	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]N[5,5]OO)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|C<3>,2|O<1>,3|H<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(O)2{2|C<4>,3|C<3>,3|H<1>}	110.2180	0.000	1	110.6835	0.427	4	110.5189	1.147	11	110.6641	0.823	30	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:4:3:	4:3:3:	3:3:1:1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5,5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]N[5,5]OO)(C[6a]C[6a]H)	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(O)2	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]N[5,5]OO)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|O<1>,3|C<3>,3|H<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(O)2{1|C<4>,1|H<1>,5|C<3>}	111.5400	0.000	1	110.6835	0.427	4	110.5189	1.147	11	110.6641	0.823	30	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:4:3:	4:3:3:	3:3:1:1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5,5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]N[5,5]OO)(C[6a]C[6a]H)	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(O)2	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]N[5,5]OO)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(O)2{2|C<4>,3|C<3>,3|H<1>}	110.4880	0.505	2	110.6835	0.427	4	110.5189	1.147	11	110.6641	0.823	30	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:4:3:	4:3:3:	3:3:1:1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5,5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]N[5,5]OO)(C[6a]C[6a]H)	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O)2	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]N[5,5]OO)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,3|C<3>,4|H<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O)2{1|C<4>,1|H<1>,5|C<3>}	108.5520	0.000	1	108.5520	0.000	1	110.5189	1.147	11	110.6641	0.823	30	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:4:3:	4:3:3:	3:3:1:1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5,5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]N[5,5]OO)(C[6a]C[6a]H)	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5,6])(O)2	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]N[5,5]OO)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5,6])(O)2{2|C<3>,3|C<4>,3|H<1>}	110.3600	0.000	1	110.3600	0.000	1	110.5189	1.147	11	110.6641	0.823	30	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:4:3:	4:3:3:	3:3:1:1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5,5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]N[5,5]OO)(C[6a]C[6a]H)	C[5,6a](C[5,5]N[5,5]C[6a]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(O)2	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]N[5,5]OO)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,5]N[5,5]C[6a]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<1>,5|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(O)2{3|H<1>,5|C<3>}	109.1300	0.000	1	111.0150	2.683	3	110.5189	1.147	11	110.6641	0.823	30	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:4:3:	4:3:3:	3:3:1:1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5,5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]N[5,5]OO)(C[6a]C[6a]H)	C[5,6a](C[5,5]N[5,5]C[6a]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(O)2	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]N[5,5]OO)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,5]N[5,5]C[6a]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|O<1>,3|H<1>,5|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(O)2{1|H<1>,1|O<1>,2|C<4>,3|C<3>}	111.9575	0.190	2	111.0150	2.683	3	110.5189	1.147	11	110.6641	0.823	30	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:4:3:	4:3:3:	3:3:1:1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5,5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]N[5,5]OO)(C[6a]C[6a]H)	C[5,6a](C[5,5]N[5,5]O[5]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5,6])(O)2	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]N[5,5]OO)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]N[5,5]O[5]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|O<1>,3|C<4>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5,6])(O)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	110.3080	0.000	1	110.3080	0.000	1	110.5189	1.147	11	110.6641	0.823	30	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:4:3:	4:3:3:	3:3:1:1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5,5]-3:O-1:O-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]N[5,5]OO)(C[6a]C[6a]H)	C[5,6a](C[5,5]N[5,5]O[5]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(O)2	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]N[5,5]OO)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]N[5,5]O[5]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|O<1>,3|C<4>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(O)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	110.7090	0.000	1	110.7090	0.000	1	110.5189	1.147	11	110.6641	0.823	30	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:4:3:	4:3:3:	3:3:1:1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5,6]-3:O-1:O-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6]N[5,6]O)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)2	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[6,6]N[5,6]O)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<3>,2|O<1>,3|C<4>,3|H<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	109.9000	0.000	1	109.9000	0.000	1	111.1930	0.823	8	110.6641	0.823	30	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:4:3:	4:3:3:	3:3:1:1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5,6]-3:O-1:O-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)2	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[5,6a](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)2{1|N<2>,2|H<1>,4|C<3>}	111.3380	0.062	2	111.7013	0.398	3	111.1930	0.823	8	110.6641	0.823	30	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:4:3:	4:3:3:	3:3:1:1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5,6]-3:O-1:O-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)2	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[5,6a](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	112.4280	0.000	1	111.7013	0.398	3	111.1930	0.823	8	110.6641	0.823	30	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:4:3:	4:3:3:	3:3:1:1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5,6]-3:O-1:O-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5,6]C[6]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)2	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6]N[5,6]C[6]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)2{2|H<1>,3|C<3>,3|C<4>}	110.8810	0.000	1	110.7950	0.015	2	111.1930	0.823	8	110.6641	0.823	30	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:4:3:	4:3:3:	3:3:1:1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5,6]-3:O-1:O-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5,6]C[6]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)2	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]N[5,6]C[6]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)2{2|C<4>,3|C<3>,3|H<1>}	110.7090	0.000	1	110.7950	0.015	2	111.1930	0.823	8	110.6641	0.823	30	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:4:3:	4:3:3:	3:3:1:1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5,6]-3:O-1:O-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5,6]C[6a]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6,6])(O)2	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]N[5,6]C[6a]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,2|O<1>,5|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6,6])(O)2{1|N<3>,2|H<1>,5|C<3>}	110.4680	0.000	1	110.4680	0.000	1	111.1930	0.823	8	110.6641	0.823	30	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:4:3:	4:3:3:	3:3:1:1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5,6]-3:O-1:O-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5a,6]N[5,6]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)2	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]N[5a,6]N[5,6]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	112.4820	0.000	1	112.4820	0.000	1	111.1930	0.823	8	110.6641	0.823	30	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:4:3:	4:3:3:	3:3:3:1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:N-3:O-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]C[5,5]NO)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(NCC)(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]C[5,5]NO)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(NCC)(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	110.9670	0.000	1	110.9670	0.000	1	110.9670	0.000	1	110.9670	0.000	1	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:4:3:	4:3:3:	3:4:1:1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:O-1:O-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]C[5,5]OO)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(O)2	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]C[5,5]OO)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|O<1>,4|H<1>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(O)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	111.4000	0.000	1	111.4000	0.000	1	112.1060	0.997	2	111.3240	1.286	4	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:4:3:	4:3:3:	3:4:1:1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:O-1:O-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]C[5,5]OO)(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(O)2	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]C[5,5]OO)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>,3|O<1>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(O)2{1|H<1>,1|N<3>,1|O<2>,4|C<3>}	112.8120	0.000	1	112.8120	0.000	1	112.1060	0.997	2	111.3240	1.286	4	109.5754	3.816	504	109.5784	5.187	531
727	727	959	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	S[5]	3:4:3:	4:3:3:	3:4:1:1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:O-1:O-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]C[5,6]OO)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]S[6]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O)2	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]C[5,6]OO)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,4|H<1>}	C[5,6a](C[5,6]C[5,6]S[6]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O)2{1|O<2>,1|S<2>,3|C<3>,3|H<1>}	110.5420	0.643	2	110.5420	0.414	2	110.5420	0.414	2	111.3240	1.286	4	109.5754	3.816	504	109.5784	5.187	531
727	727	960	0:SP2_SP2_SP2	C[5,6a]	C[5a,6a]	N[5]	3:3:2:	3:3:2:	3:2:	C[5a,6a]-3:C[5,6a]-3:N[5]-2:	C[5,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5,6a]-3:S[5]-2:	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])	N[5](C[5,6a]C[5a,6a]C[5,6a])(S[5]S[5])	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>}	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>}	N[5](C[5,6a]C[5a,6a]C[5,6a])(S[5]S[5]){1|S<2>,2|C<3>}	122.7230	0.000	1	122.7230	0.000	1	122.7230	0.000	1	122.7230	0.000	1	126.6161	7.007	8	126.6161	7.007	8
727	727	960	0:SP2_SP2_SP2	C[5,6a]	C[5a,6a]	N[5]	3:3:2:	3:3:2:	3:3:	C[5a,6a]-3:C[5,6a]-3:N[5]-2:	C[5a,6a]-3:C[5,6a]-3:N[5a]-2:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a,6a]C[5])(N[5]C[5])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5,6a]C[5,6a]N[5])(N[5a]C[5a])	N[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]C)	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a,6a]C[5])(N[5]C[5]){1|C<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5,6a]C[5,6a]N[5])(N[5a]C[5a]){1|C<4>,5|C<3>}	N[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]C){1|C<4>,1|N<2>,2|C<3>}	125.7900	0.000	1	127.4795	5.709	2	127.4795	5.709	2	127.4795	5.709	2	126.6161	7.007	8	126.6161	7.007	8
727	727	960	0:SP2_SP2_SP2	C[5,6a]	C[5a,6a]	N[5]	3:3:2:	3:3:2:	3:3:	C[5a,6a]-3:C[5,6a]-3:N[5]-2:	C[5a,6a]-3:C[5,6a]-3:N[5a]-2:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a,6a]C[5])(N[5]C[5])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5,6a]C[5,6a]N[5])(N[5a]C[5a])	N[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]C)	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a,6a]C[5])(N[5]C[5]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5,6a]C[5,6a]N[5])(N[5a]C[5a]){1|H<1>,5|C<3>}	N[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]C){1|H<1>,1|N<2>,2|C<3>}	129.1690	0.000	1	127.4795	5.709	2	127.4795	5.709	2	127.4795	5.709	2	126.6161	7.007	8	126.6161	7.007	8
727	727	960	0:SP2_SP2_SP2	C[5,6a]	C[5a,6a]	N[5]	3:3:2:	3:3:3:	3:2:	C[5a,6a]-3:C[5,6a]-3:N[5]-2:	C[5a,5a]-3:C[5a,6a]-3:C[5,6a]-3:	C[5,6a]-3:Se[5]-2:	C[5,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5,6a]C[5a,6a]N[5])(N[5]Se[5])	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])	N[5](C[5,6a]C[5a,6a]C[5,6a])(Se[5]N[5])	C[5,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5,6a]C[5a,6a]N[5])(N[5]Se[5]){1|N<3>,1|S<2>,3|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>}	N[5](C[5,6a]C[5a,6a]C[5,6a])(Se[5]N[5]){3|C<3>}	124.9810	0.327	2	124.9810	0.107	2	124.9810	0.107	2	124.9810	0.107	2	126.6161	7.007	8	126.6161	7.007	8
727	727	960	0:SP2_SP2_SP2	C[5,6a]	C[5a,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5a,6a]-3:C[5,6a]-3:N[5]-2:	C[5a,6a]-3:C[5,6a]-3:N[5a,6]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5a,6a]C[5a,6a]N[5a,6])(C[5,6a]C[6a,6a]C[5])(N[5]C[5])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5,6a]C[5,6a]N[5])(N[5a,6]C[5a,6]B[6])	N[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]H)	C[5,6a](C[5a,6a]C[5a,6a]N[5a,6])(C[5,6a]C[6a,6a]C[5])(N[5]C[5]){1|B<4>,1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5,6a]C[5,6a]N[5])(N[5a,6]C[5a,6]B[6]){1|C<4>,1|N<3>,2|F<1>,5|C<3>}	N[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]H){1|C<4>,1|N<3>,2|C<3>}	129.6100	0.000	1	129.6100	0.000	1	129.6100	0.000	1	128.4283	5.693	3	126.6161	7.007	8	126.6161	7.007	8
727	727	960	0:SP2_SP2_SP2	C[5,6a]	C[5a,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5a,6a]-3:C[5,6a]-3:N[5]-2:	C[5a,6a]-3:C[5,6a]-3:N[5a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a,6a]C[5])(N[5]C[5])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5,6a]C[5,6a]N[5])(N[5a]C[5a]H)	N[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]C)	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a,6a]C[5])(N[5]C[5]){1|C<4>,1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5,6a]C[5,6a]N[5])(N[5a]C[5a]H){1|C<4>,5|C<3>}	N[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]C){1|C<4>,1|N<3>,2|C<3>}	125.6820	0.000	1	127.8375	9.292	2	127.8375	9.292	2	128.4283	5.693	3	126.6161	7.007	8	126.6161	7.007	8
727	727	960	0:SP2_SP2_SP2	C[5,6a]	C[5a,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5a,6a]-3:C[5,6a]-3:N[5]-2:	C[5a,6a]-3:C[5,6a]-3:N[5a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a,6a]C[5])(N[5]C[5])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5,6a]C[5,6a]N[5])(N[5a]C[5a]H)	N[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]C)	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a,6a]C[5])(N[5]C[5]){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5,6a]C[5,6a]N[5])(N[5a]C[5a]H){1|H<1>,5|C<3>}	N[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]C){1|H<1>,1|N<3>,2|C<3>}	129.9930	0.000	1	127.8375	9.292	2	127.8375	9.292	2	128.4283	5.693	3	126.6161	7.007	8	126.6161	7.007	8
727	727	960	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,5a]-3:N[5a]-3:N[5]-2:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,6a]-3:	C[5,5a](C[5,5a]C[5,6a]C[5a])(N[5a]C[5a]C[6])(N[5]C[5,6a])	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]N[5])(C[5a]C[5a]C[6a])	N[5](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])	C[5,5a](C[5,5a]C[5,6a]C[5a])(N[5a]C[5a]C[6])(N[5]C[5,6a]){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]N[5])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	N[5](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	116.0230	0.000	1	116.0230	0.000	1	116.0230	0.000	1	116.0620	0.003	2	116.0620	0.003	2	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5]	3:3:2:	3:3:3:	3:3:	N[5a,5a]-3:C[5,5a]-3:N[5]-2:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5]-3:	C[5,5a](N[5a,5a]C[5a,5a]C[5a])(C[5,5a]C[5a]C[5])(N[5]C[5])	C[5,5a](C[5,5a]N[5a,5a]N[5])(C[5a]C[5a,5a]C[6a])(C[5]C[5]H)	N[5](C[5,5a]N[5a,5a]C[5,5a])(C[5]C[5]C)	C[5,5a](N[5a,5a]C[5a,5a]C[5a])(C[5,5a]C[5a]C[5])(N[5]C[5]){1|H<1>,5|C<3>}	C[5,5a](C[5,5a]N[5a,5a]N[5])(C[5a]C[5a,5a]C[6a])(C[5]C[5]H){5|C<3>}	N[5](C[5,5a]N[5a,5a]C[5,5a])(C[5]C[5]C){1|H<1>,3|C<3>}	116.1010	0.000	1	116.1010	0.000	1	116.1010	0.000	1	116.0620	0.003	2	116.0620	0.003	2	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6,6a]-3:C[6a]-3:N[5]-2:	C[6,6a]-3:C[5,6a]-3:C[5,6]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5])	C[5,6,6a](C[6,6a]C[6,6]C[6a])(C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6])	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,2|C<4>,2|H<1>}	C[5,6,6a](C[6,6a]C[6,6]C[6a])(C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]){1|C<3>,2|C<4>,6|H<1>}	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]H){1|C<4>,1|H<1>,2|C<3>}	106.1270	0.000	1	106.1270	0.000	1	106.1270	0.000	1	106.1270	0.000	1	108.5170	11.424	2	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6,6a]	N[5]	3:3:2:	4:3:3:	3:3:	C[5,6,6a]-3:C[6a]-3:N[5]-2:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]H)(N[5]C[5])	C[5,6,6a](C[5,5,6]C[5,6,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6,6a]C[6a]C[6])	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,5,6]C)	C[5,6a](C[5,6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6,6a](C[5,5,6]C[5,6,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6,6a]C[6a]C[6]){2|C<3>,4|H<1>,5|C<4>}	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,5,6]C){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	110.9070	0.000	1	110.9070	0.000	1	110.9070	0.000	1	110.9070	0.000	1	108.5170	11.424	2	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	N[5]	3:3:2:	3:3:3:	3:2:	C[5,6a,6a]-3:C[6a]-3:N[5]-2:	C[6a,6a]-3:C[5,6a]-3:N[5,6a]-3:	C[5,6a]-3:S[5]-2:	C[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(N[5]S[5])	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(N[5,6a]B[6a]S[5])	N[5](C[5,6a]C[5,6a,6a]C[6a])(S[5]N[5,6a])	C[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(N[5]S[5]){1|B<4>,1|H<1>,2|C<3>}	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(N[5,6a]B[6a]S[5]){2|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a,6a]C[6a])(S[5]N[5,6a]){1|B<4>,1|H<1>,2|C<3>}	113.7270	0.072	2	113.7270	0.005	2	113.7270	0.005	2	113.7270	0.005	2	111.7560	2.348	6	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a,6a]-3:C[6a]-3:N[5]-2:	C[5,6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[6a]C[6a,6a]C[5a])(N[5]C[5,6a])	C[5,6a,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])	N[5](C[5,6a]C[5,6a,6a]C[6a])2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[6a]C[6a,6a]C[5a])(N[5]C[5,6a]){1|N<3>,6|C<3>}	C[5,6a,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5]){1|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a,6a]C[6a])2{6|C<3>}	110.7705	0.161	4	110.7705	0.026	4	110.7705	0.026	4	110.7705	0.026	4	111.7560	2.348	6	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:2:2:	3:2:2:	3:2:	C[5,6a]-3:N[6a]-2:N[5]-2:	C[5,6a]-3:N[6a]-2:N[5]-2:	C[5,6a]-3:Se[5]-2:	C[5,6a](C[5,6a]N[6a]N[5])(N[6a]C[6a])(N[5]Se[5])	C[5,6a](C[5,6a]N[6a]N[5])(N[6a]C[6a])(N[5]Se[5])	N[5](C[5,6a]C[5,6a]N[6a])(Se[5]N[5])	C[5,6a](C[5,6a]N[6a]N[5])(N[6a]C[6a])(N[5]Se[5]){1|C<2>,1|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(N[6a]C[6a])(N[5]Se[5]){1|C<2>,1|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(Se[5]N[5]){1|C<3>,1|N<2>}	116.6120	0.177	2	116.6120	0.031	2	116.6120	0.031	2	117.8037	3.280	4	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:2:2:	3:2:2:	3:2:	C[5,6a]-3:N[6a]-2:N[5]-2:	C[5,6a]-3:N[6a]-2:S[5]-2:	C[5,6a]-3:S[5]-2:	C[5,6a](C[5,6a]N[6a]S[5])(N[6a]C[5a,6a])(N[5]S[5])	C[5,6a](C[5,6a]N[6a]N[5])(N[6a]C[5a,6a])(S[5]S[5])	N[5](C[5,6a]C[5,6a]N[6a])(S[5]S[5])	C[5,6a](C[5,6a]N[6a]S[5])(N[6a]C[5a,6a])(N[5]S[5]){1|C<3>,1|N<2>}	C[5,6a](C[5,6a]N[6a]N[5])(N[6a]C[5a,6a])(S[5]S[5]){1|C<3>,1|N<2>}	N[5](C[5,6a]C[5,6a]N[6a])(S[5]S[5]){1|C<3>,1|N<2>}	117.5590	0.000	1	117.5590	0.000	1	117.5590	0.000	1	117.8037	3.280	4	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:2:2:	3:2:2:	3:2:	C[5,6a]-3:S[6a]-2:N[5]-2:	C[5,6a]-3:N[6a]-2:S[5]-2:	C[5,6a]-3:S[5]-2:	C[5,6a](C[5,6a]N[6a]S[5])(S[6a]C[5a,6a])(N[5]S[5])	C[5,6a](C[5,6a]S[6a]N[5])(N[6a]C[5a,6a])(S[5]S[5])	N[5](C[5,6a]C[5,6a]S[6a])(S[5]S[5])	C[5,6a](C[5,6a]N[6a]S[5])(S[6a]C[5a,6a])(N[5]S[5]){2|C<3>}	C[5,6a](C[5,6a]S[6a]N[5])(N[6a]C[5a,6a])(S[5]S[5]){1|C<3>,1|N<3>}	N[5](C[5,6a]C[5,6a]S[6a])(S[5]S[5]){1|C<3>,1|N<2>}	120.4320	0.000	1	120.4320	0.000	1	120.4320	0.000	1	117.8037	3.280	4	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:2:2:	3:3:2:	3:2:	C[5,6a]-3:N[6a]-2:N[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:Se[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]Se[5])	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5])	N[5](C[5,6a]C[5,6a]N[6a])(Se[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]Se[5]){1|C<3>,2|H<1>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]){1|C<3>,1|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(Se[5]N[5]){2|C<3>}	116.1080	0.828	4	116.1080	0.686	4	116.1080	0.686	4	116.1080	0.686	4	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[5,6a]-3:N[5]-2:N[6a]-2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,6])(N[6a]C[6a])	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]N[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5,6]2)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,6])(N[6a]C[6a]){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]N[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5,6]2){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	108.6520	0.000	1	108.6520	0.000	1	108.6520	0.000	1	108.6520	0.000	1	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:2:3:	4:3:3:	3:3:	C[5,6a]-3:N[5]-2:C[6a]-3:	C[5,3x6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,3x6]C[6a])(N[5]C[5,6,6])(C[6a]C[6a]H)	C[5,6a](C[5,3x6]C[5,6,6]C[6,6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6,6]C[5,3x6]C[3x6])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,3x6]C[6a])(N[5]C[5,6,6])(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,3x6]C[5,6,6]C[6,6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	N[5](C[5,6,6]C[5,3x6]C[3x6])(C[5,6a]C[5,6a]C[6a]){2|C<3>,2|H<1>,4|C<4>}	112.0790	0.088	2	112.0790	0.008	2	112.2543	0.096	3	112.0995	0.057	10	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:2:3:	4:3:3:	3:3:	C[5,6a]-3:N[5]-2:C[6a]-3:	C[5,3x6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,3x6]C[6a])(N[5]C[5,6,6])(C[6a]C[6a]H)	C[5,6a](C[5,3x6]C[5,6,6]C[6,6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6,6]C[5,3x6]C[6,6])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,3x6]C[6a])(N[5]C[5,6,6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,3x6]C[5,6,6]C[6,6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	N[5](C[5,6,6]C[5,3x6]C[6,6])(C[5,6a]C[5,6a]C[6a]){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	112.6050	0.000	1	112.6050	0.000	1	112.2543	0.096	3	112.0995	0.057	10	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:2:3:	4:3:3:	3:3:	C[5,6a]-3:N[5]-2:C[6a]-3:	C[5,5,3x6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,5,3x6]C[6a])(N[5]C[5,6,6])(C[6a]C[6a]H)	C[5,6a](C[5,5,3x6]C[5,6,6]3)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6,6]C[5,5,3x6]C[5,6,6])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,5,3x6]C[6a])(N[5]C[5,6,6])(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,5,3x6]C[5,6,6]3)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>,4|C<4>}	N[5](C[5,6,6]C[5,5,3x6]C[5,6,6])(C[5,6a]C[5,6a]C[6a]){1|H<1>,2|C<3>,2|S<2>,3|C<4>}	112.1470	0.000	1	112.1470	0.000	1	112.1470	0.000	1	112.0995	0.057	10	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:2:3:	4:3:3:	3:3:	C[5,6a]-3:N[5]-2:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6])(C[6a]C[6a]H)	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,5,6]C[5,5,6]C[5,6])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6])(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	N[5](C[5,5,6]C[5,5,6]C[5,6])(C[5,6a]C[5,6a]C[6a]){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	112.1750	0.000	1	112.1750	0.000	1	112.1750	0.000	1	112.0995	0.057	10	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:2:3:	4:3:3:	3:3:	C[5,6a]-3:N[5]-2:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6])(C[6a]C[6a]H)	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6,6]C[5,6,6]C[3x6])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	N[5](C[5,6,6]C[5,6,6]C[3x6])(C[5,6a]C[5,6a]C[6a]){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	111.8115	0.199	2	111.8115	0.039	2	111.9320	0.063	3	112.0995	0.057	10	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:2:3:	4:3:3:	3:3:	C[5,6a]-3:N[5]-2:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6])(C[6a]C[6a]H)	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6,6]C[5,6,6]C[6,6])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6])(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,4|C<4>,5|H<1>}	N[5](C[5,6,6]C[5,6,6]C[6,6])(C[5,6a]C[5,6a]C[6a]){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	112.1730	0.000	1	112.1730	0.000	1	111.9320	0.063	3	112.0995	0.057	10	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:2:3:	4:3:3:	3:3:	C[5,6a]-3:N[5]-2:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6,6]-3:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6])(C[6a]C[6a]H)	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[5,6,6]2)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6])(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[5,6,6]2){1|H<1>,1|N<3>,2|C<3>,4|C<4>}	112.0570	0.161	2	112.0570	0.026	2	112.0570	0.026	2	112.0995	0.057	10	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:2:3:	4:3:3:	4:3:	C[5,6a]-3:N[5]-2:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6])(C[6a]C[6a]H)	C[5,6a](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	N[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5,6a]C[5,6a]C[6a]){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	111.5320	0.000	1	111.5320	0.000	1	111.5320	0.000	1	111.5320	0.000	1	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:2:2:	3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:N[6a]-2:N[5]-2:	C[5,6a]-3:Se[5]-2:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5])	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]Se[5])	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]){1|C<3>,1|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]Se[5]){1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5]){1|C<3>,1|H<1>,1|N<2>}	116.2668	0.915	4	116.2668	0.837	4	116.2668	0.837	4	116.2668	0.837	4	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:2:	3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5,6a]-3:S[5]-2:	C[5,6a]-3:Se[5]-2:	C[5,6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(N[5]Se[5])	C[5,6a](C[5,6a]C[5,6a]S[5])(C[5,6a]C[6a]N[5])(S[5]Se[5])	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]S[5])	C[5,6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(N[5]Se[5]){1|C<3>,1|H<1>,1|S<2>}	C[5,6a](C[5,6a]C[5,6a]S[5])(C[5,6a]C[6a]N[5])(S[5]Se[5]){1|Se<2>,1|C<3>,1|H<1>,1|N<2>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]S[5]){1|H<1>,2|C<3>}	121.1640	0.653	3	121.1640	0.427	3	121.1640	0.427	3	116.1870	24.348	125	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:2:	3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:Se[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a]C[6a])(N[5]Se[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a]C[6a])(N[5]Se[5])	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a]C[6a])(N[5]Se[5]){1|H<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a]C[6a])(N[5]Se[5]){1|H<1>,1|S<2>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5]){3|C<3>}	116.0545	0.235	2	116.0545	0.055	2	115.8800	0.412	26	116.1870	24.348	125	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:2:	3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:Se[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]C)(N[5]Se[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]C)(N[5]Se[5])	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]C)(N[5]Se[5]){1|C<2>,1|C<3>,1|N<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]C)(N[5]Se[5]){1|C<2>,1|C<3>,1|N<2>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5]){1|C<2>,2|C<3>}	115.8310	0.409	2	115.8325	0.081	4	115.8800	0.412	26	116.1870	24.348	125	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:2:	3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:Se[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]C)(N[5]Se[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]C)(N[5]Se[5])	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]C)(N[5]Se[5]){1|C<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]C)(N[5]Se[5]){1|C<2>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5]){1|C<2>,2|C<3>}	115.8340	0.276	2	115.8325	0.081	4	115.8800	0.412	26	116.1870	24.348	125	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:2:	3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:Se[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(N[5]Se[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(N[5]Se[5])	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(N[5]Se[5]){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(N[5]Se[5]){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5]){3|C<3>}	115.9878	0.402	6	115.9878	0.162	6	115.8800	0.412	26	116.1870	24.348	125	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:2:	3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:Se[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]Se[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]Se[5])	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]Se[5]){1|C<2>,1|C<3>,1|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]Se[5]){1|C<2>,1|C<3>,1|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5]){1|C<2>,2|C<3>}	116.2155	0.148	2	115.9041	0.098	8	115.8800	0.412	26	116.1870	24.348	125	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:2:	3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:Se[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]Se[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]Se[5])	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]Se[5]){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]Se[5]){1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5]){3|C<3>}	115.8003	0.286	6	115.9041	0.098	8	115.8800	0.412	26	116.1870	24.348	125	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:2:	3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:Se[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C[5])(N[5]Se[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C[5])(N[5]Se[5])	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C[5])(N[5]Se[5]){1|Se<2>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C[5])(N[5]Se[5]){1|Se<2>,1|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5]){3|C<3>}	115.5810	2.676	2	115.5810	7.159	2	115.8800	0.412	26	116.1870	24.348	125	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:2:	3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:Se[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5])	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]){1|C<3>,1|C<4>,1|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]){1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5]){1|H<1>,2|C<3>}	116.1390	0.000	1	115.7795	0.326	4	115.8800	0.412	26	116.1870	24.348	125	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:2:	3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:Se[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5])	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]){1|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]){1|C<3>,1|C<4>,1|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5]){1|H<1>,2|C<3>}	116.3820	0.000	1	115.7795	0.326	4	115.8800	0.412	26	116.1870	24.348	125	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:2:	3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:Se[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5])	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]){1|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]){1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5]){1|H<1>,2|C<3>}	115.2985	0.149	2	115.7795	0.326	4	115.8800	0.412	26	116.1870	24.348	125	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:2:	3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]Cl)(N[5]S[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]Cl)(S[5]S[5])	N[5](C[5,6a]C[5,6a]C[6a])(S[5]S[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]Cl)(N[5]S[5]){1|Cl<1>,1|C<3>,1|S<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]Cl)(S[5]S[5]){1|Cl<1>,1|C<3>,1|N<2>}	N[5](C[5,6a]C[5,6a]C[6a])(S[5]S[5]){1|Cl<1>,2|C<3>}	118.2520	1.908	2	118.2520	3.640	2	117.9717	1.198	13	116.1870	24.348	125	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:2:	3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5a,6a]Cl)(N[5]S[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]Cl)(S[5]S[5])	N[5](C[5,6a]C[5,6a]C[6a])(S[5]S[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5a,6a]Cl)(N[5]S[5]){1|Cl<1>,1|C<3>,1|S<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]Cl)(S[5]S[5]){1|Cl<1>,1|C<3>,1|N<2>}	N[5](C[5,6a]C[5,6a]C[6a])(S[5]S[5]){1|Cl<1>,2|C<3>}	117.5490	0.000	1	117.5490	0.000	1	117.9717	1.198	13	116.1870	24.348	125	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:2:	3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5a,6a]O)(N[5]S[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]N)(S[5]S[5])	N[5](C[5,6a]C[5,6a]C[6a])(S[5]S[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5a,6a]O)(N[5]S[5]){1|C<3>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]N)(S[5]S[5]){1|C<3>,1|O<1>,1|S<2>}	N[5](C[5,6a]C[5,6a]C[6a])(S[5]S[5]){1|O<1>,2|C<3>}	119.3040	0.000	1	119.3040	0.000	1	117.9717	1.198	13	116.1870	24.348	125	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:2:	3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]C)(N[5]S[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(S[5]S[5])	N[5](C[5,6a]C[5,6a]C[6a])(S[5]S[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]C)(N[5]S[5]){1|C<3>,1|H<1>,1|N<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(S[5]S[5]){1|C<4>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(S[5]S[5]){1|C<4>,2|C<3>}	119.1895	0.265	2	119.1895	0.070	2	117.9717	1.198	13	116.1870	24.348	125	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:2:	3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]S[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]S[5])	N[5](C[5,6a]C[5,6a]C[6a])(S[5]S[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]S[5]){1|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]S[5]){1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(S[5]S[5]){1|H<1>,2|C<3>}	117.4137	0.754	7	117.4137	0.569	7	117.9717	1.198	13	116.1870	24.348	125	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:2:	3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:Se[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]Cl)(N[5]Se[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]Cl)(S[5]Se[5])	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]S[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]Cl)(N[5]Se[5]){1|Cl<1>,1|C<3>,1|S<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]Cl)(S[5]Se[5]){1|Cl<1>,1|C<3>,1|N<2>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]S[5]){1|Cl<1>,2|C<3>}	120.3300	0.523	2	120.3300	0.274	2	120.6940	0.534	3	116.1870	24.348	125	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:2:	3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:Se[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]Se[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]Se[5])	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]S[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]Se[5]){1|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]Se[5]){1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]S[5]){1|H<1>,2|C<3>}	121.4220	0.000	1	121.4220	0.000	1	120.6940	0.534	3	116.1870	24.348	125	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:2:	3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:Se[5]-2:	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]Se[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]Se[5])	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]Se[5])	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]Se[5]){1|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]Se[5]){1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]Se[5]){1|H<1>,2|C<3>}	122.4720	0.000	1	122.4720	0.000	1	122.4720	0.000	1	116.1870	24.348	125	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:2:	3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:N[6a]-3:N[5]-2:	C[5,6a]-3:N[5]-2:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]N[5]){1|C<3>,1|C<4>,1|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]N[5]){1|N<3>,2|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]){1|O<1>,2|N<3>}	107.0980	0.000	1	107.1674	0.028	15	107.1674	0.028	15	116.1870	24.348	125	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:2:	3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:N[6a]-3:N[5]-2:	C[5,6a]-3:N[5]-2:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]N[5]){1|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]N[5]){1|N<3>,2|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]){1|O<1>,2|N<3>}	107.1724	0.171	14	107.1674	0.028	15	107.1674	0.028	15	116.1870	24.348	125	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:2:	3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5a,6a]-3:C[5,6a]-3:S[5]-2:	C[5,6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[5a,6a]S[5])(C[6a]C[6a]C)(N[5]S[5])	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]N[5])(S[5]S[5])	N[5](C[5,6a]C[5,6a]C[6a])(S[5]S[5])	C[5,6a](C[5,6a]C[5a,6a]S[5])(C[6a]C[6a]C)(N[5]S[5]){1|C<3>,1|H<1>,1|N<2>}	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]N[5])(S[5]S[5]){1|C<3>,1|C<4>,2|S<2>}	N[5](C[5,6a]C[5,6a]C[6a])(S[5]S[5]){1|C<4>,2|C<3>}	115.2840	0.000	1	115.2840	0.000	1	115.2840	0.000	1	116.1870	24.348	125	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:2:	3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6,6a]-3:C[5,6a]-3:N[5]-2:	C[5,6a]-3:Se[5]-2:	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6a]C[6a]H)(N[5]Se[5])	C[5,6a](C[6,6a]C[6,6a]N[6])(C[5,6a]C[6a]N[5])(N[5]Se[5])	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]){1|C<3>,1|H<1>,1|N<3>}	C[5,6a](C[6,6a]C[6,6a]N[6])(C[5,6a]C[6a]N[5])(N[5]Se[5]){1|C<4>,1|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5]){1|H<1>,2|C<3>}	115.8560	0.000	1	115.8560	0.000	1	115.8560	0.000	1	116.1870	24.348	125	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:2:	3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a,6a]-3:C[5,6a]-3:N[5]-2:	C[5,6a]-3:Se[5]-2:	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[5a]C[6a])(N[5]Se[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(N[5]Se[5])	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[5a]C[6a])(N[5]Se[5]){1|H<1>,1|S<2>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(N[5]Se[5]){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5]){3|C<3>}	114.6800	0.000	1	114.6800	0.000	1	114.6800	0.000	1	116.1870	24.348	125	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:2:	3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a,6a]-3:C[5,6a]-3:S[5]-2:	C[5,6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a,6a]S[5])(C[6a]C[6a]C)(N[5]S[5])	C[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[6a]N[5])(S[5]S[5])	N[5](C[5,6a]C[5,6a]C[6a])(S[5]S[5])	C[5,6a](C[5,6a]C[6a,6a]S[5])(C[6a]C[6a]C)(N[5]S[5]){1|C<3>,1|H<1>,1|N<2>}	C[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[6a]N[5])(S[5]S[5]){1|C<4>,1|N<2>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(S[5]S[5]){1|C<4>,2|C<3>}	116.7463	1.211	3	116.7463	1.467	3	118.1852	4.623	5	116.1870	24.348	125	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:2:	3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a,6a]-3:C[5,6a]-3:S[5]-2:	C[5,6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a,6a]S[5])(C[6a]C[6a]H)(N[5]S[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(S[5]S[5])	N[5](C[5,6a]C[5,6a]C[6a])(S[5]S[5])	C[5,6a](C[5,6a]C[6a,6a]S[5])(C[6a]C[6a]H)(N[5]S[5]){1|H<1>,2|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(S[5]S[5]){2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(S[5]S[5]){1|H<1>,2|C<3>}	120.3435	0.175	2	120.3435	0.031	2	118.1852	4.623	5	116.1870	24.348	125	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:2:	3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a,6a]-3:C[5,6a]-3:Se[5]-2:	C[5,6a]-3:Se[5]-2:	C[5,6a](C[5,6a]C[6a,6a]Se[5])(C[6a]C[6a]H)(N[5]Se[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(Se[5]Se[5])	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]Se[5])	C[5,6a](C[5,6a]C[6a,6a]Se[5])(C[6a]C[6a]H)(N[5]Se[5]){1|H<1>,2|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(Se[5]Se[5]){2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]Se[5]){1|H<1>,2|C<3>}	122.3890	0.000	1	122.3890	0.000	1	122.3890	0.000	1	116.1870	24.348	125	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:2:	3:2:	C[5,6a]-3:N[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]N[5])	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]N[5])	N[5](C[5,6a]C[5,6a]N[6a])(N[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]N[5]){1|N<3>,2|O<1>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]N[5]){1|C<3>,1|C<4>,1|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(N[5]N[5]){1|C<4>,2|C<3>}	109.4920	0.000	1	109.8299	1.508	15	109.8299	1.508	15	116.1870	24.348	125	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:2:	3:2:	C[5,6a]-3:N[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]N[5])	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]N[5])	N[5](C[5,6a]C[5,6a]N[6a])(N[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]N[5]){1|N<3>,2|O<1>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]N[5]){1|C<3>,2|C<4>}	N[5](C[5,6a]C[5,6a]N[6a])(N[5]N[5]){1|C<4>,2|C<3>}	109.8541	1.271	14	109.8299	1.508	15	109.8299	1.508	15	116.1870	24.348	125	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:2:	3:2:	C[5,6a]-3:N[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5,6a]C)(N[5]S[5])	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5,6a]Cl)(S[5]S[5])	N[5](C[5,6a]C[5,6a]N[6a])(S[5]S[5])	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5,6a]C)(N[5]S[5]){1|Cl<1>,1|C<3>,1|N<2>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5,6a]Cl)(S[5]S[5]){1|C<3>,1|C<4>,1|S<2>}	N[5](C[5,6a]C[5,6a]N[6a])(S[5]S[5]){1|C<4>,2|C<3>}	121.4028	0.354	6	121.4028	0.125	6	121.1829	0.793	31	116.1870	24.348	125	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:2:	3:2:	C[5,6a]-3:N[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5,6a]C)(N[5]S[5])	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5,6a]F)(S[5]S[5])	N[5](C[5,6a]C[5,6a]N[6a])(S[5]S[5])	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5,6a]C)(N[5]S[5]){1|C<3>,1|F<1>,1|N<2>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5,6a]F)(S[5]S[5]){1|C<3>,1|C<4>,1|S<2>}	N[5](C[5,6a]C[5,6a]N[6a])(S[5]S[5]){1|C<4>,2|C<3>}	120.9266	0.334	14	120.9266	0.111	14	121.1829	0.793	31	116.1870	24.348	125	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:2:	3:2:	C[5,6a]-3:N[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5,6a]C)(N[5]S[5])	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5,6a]H)(S[5]S[5])	N[5](C[5,6a]C[5,6a]N[6a])(S[5]S[5])	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5,6a]C)(N[5]S[5]){1|C<3>,1|H<1>,1|N<2>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5,6a]H)(S[5]S[5]){1|C<3>,1|C<4>,1|S<2>}	N[5](C[5,6a]C[5,6a]N[6a])(S[5]S[5]){1|C<4>,2|C<3>}	122.0238	0.234	4	122.0238	0.055	4	121.1829	0.793	31	116.1870	24.348	125	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:2:	3:2:	C[5,6a]-3:N[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[6,6a]C)(N[5]S[5])	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6,6a]H)(S[5]S[5])	N[5](C[5,6a]C[5,6a]N[6a])(S[5]S[5])	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[6,6a]C)(N[5]S[5]){1|C<3>,1|H<1>,1|N<2>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6,6a]H)(S[5]S[5]){1|C<3>,1|C<4>,1|S<2>}	N[5](C[5,6a]C[5,6a]N[6a])(S[5]S[5]){1|C<4>,2|C<3>}	122.2612	0.997	4	122.2612	0.995	4	121.1829	0.793	31	116.1870	24.348	125	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:2:	3:2:	C[5,6a]-3:N[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[6a]C)(N[5]S[5])	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]F)(S[5]S[5])	N[5](C[5,6a]C[5,6a]N[6a])(S[5]S[5])	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[6a]C)(N[5]S[5]){1|C<3>,1|F<1>,1|N<2>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]F)(S[5]S[5]){1|C<3>,1|C<4>,1|S<1>}	N[5](C[5,6a]C[5,6a]N[6a])(S[5]S[5]){1|C<4>,2|C<3>}	119.3807	0.261	3	119.3807	0.068	3	121.1829	0.793	31	116.1870	24.348	125	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:2:	3:2:	C[5a,6a]-3:C[5,6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:S[5]-2:	C[5,6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[6a]S[5])(N[5]S[5])	C[5,6a](C[5,6a]C[5a,6a]N[5])(C[6a]C[6a]H)(S[5]S[5])	N[5](C[5,6a]C[5a,6a]C[5,6a])(S[5]S[5])	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>}	C[5,6a](C[5,6a]C[5a,6a]N[5])(C[6a]C[6a]H)(S[5]S[5]){1|C<3>,1|C<4>,1|S<2>}	N[5](C[5,6a]C[5a,6a]C[5,6a])(S[5]S[5]){1|S<2>,2|C<3>}	120.6010	0.000	1	120.6010	0.000	1	120.6010	0.000	1	116.1870	24.348	125	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:2:	3:2:	C[5a,6a]-3:C[5,6a]-3:N[5]-2:	C[5a,6a]-3:C[5,6a]-3:N[5]-2:	C[5,6a]-3:Se[5]-2:	C[5,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5,6a]C[5a,6a]N[5])(N[5]Se[5])	C[5,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5,6a]C[5a,6a]N[5])(N[5]Se[5])	N[5](C[5,6a]C[5a,6a]C[5,6a])(Se[5]N[5])	C[5,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5,6a]C[5a,6a]N[5])(N[5]Se[5]){1|N<3>,1|S<2>,3|C<3>}	C[5,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5,6a]C[5a,6a]N[5])(N[5]Se[5]){1|N<3>,1|S<2>,3|C<3>}	N[5](C[5,6a]C[5a,6a]C[5,6a])(Se[5]N[5]){3|C<3>}	116.3580	0.345	2	116.3580	0.119	2	116.3580	0.119	2	116.1870	24.348	125	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:2:	3:2:	C[6,6a]-3:C[5,6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:Se[5]-2:	C[5,6a](C[6,6a]C[6,6a]N[6])(C[5,6a]C[6a]N[5])(N[5]Se[5])	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6a]C[6a]H)(N[5]Se[5])	N[5](C[5,6a]C[5,6a]C[6,6a])(Se[5]N[5])	C[5,6a](C[6,6a]C[6,6a]N[6])(C[5,6a]C[6a]N[5])(N[5]Se[5]){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]){1|C<3>,1|H<1>,1|N<3>}	N[5](C[5,6a]C[5,6a]C[6,6a])(Se[5]N[5]){1|N<3>,2|C<3>}	115.6090	0.000	1	115.6090	0.000	1	115.6090	0.000	1	116.1870	24.348	125	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:2:	3:2:	C[6a,6a]-3:C[5,6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:Se[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(N[5]Se[5])	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[5a]C[6a])(N[5]Se[5])	N[5](C[5,6a]C[6a,6a]C[5,6a])(Se[5]N[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(N[5]Se[5]){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[5a]C[6a])(N[5]Se[5]){1|H<1>,1|S<2>,3|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(Se[5]N[5]){3|C<3>}	116.9720	0.000	1	116.9720	0.000	1	116.9720	0.000	1	116.1870	24.348	125	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:2:	3:2:	C[6a,6a]-3:C[5,6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:S[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5])(N[5]S[5])	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]O)(S[5]S[5])	N[5](C[5,6a]C[6a,6a]C[5,6a])(S[5]S[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5])(N[5]S[5]){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]O)(S[5]S[5]){1|O<3>,2|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(S[5]S[5]){3|C<3>}	120.4950	0.000	1	119.8505	0.831	2	119.8505	0.831	2	116.1870	24.348	125	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:2:	3:2:	C[6a,6a]-3:C[5,6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:S[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5])(N[5]S[5])	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]O)(S[5]S[5])	N[5](C[5,6a]C[6a,6a]C[5,6a])(S[5]S[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5])(N[5]S[5]){1|H<1>,1|O<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]O)(S[5]S[5]){1|O<2>,2|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(S[5]S[5]){3|C<3>}	119.2060	0.000	1	119.8505	0.831	2	119.8505	0.831	2	116.1870	24.348	125	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:2:	3:2:	C[6a,6a]-3:C[5,6a]-3:N[5]-2:	C[6a,6a]-3:C[5,6a]-3:N[5]-2:	C[5,6a]-3:Se[5]-2:	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]Se[5])	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]Se[5])	N[5](C[5,6a]C[6a,6a]C[5,6a])(Se[5]N[5])	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]Se[5]){1|H<1>,4|C<3>}	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]Se[5]){1|H<1>,4|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(Se[5]N[5]){3|C<3>}	116.2280	0.091	2	116.2280	0.008	2	116.2280	0.008	2	116.1870	24.348	125	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:2:	3:3:	C[5,6a]-3:C[6,6a]-3:N[5]-2:	C[5,6a]-3:C[6,6a]-3:N[5]-2:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5])	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5])	N[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[6a]N[5])	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5]){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5]){1|H<1>,1|N<3>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[6a]N[5]){5|C<3>}	108.7607	1.780	29	108.7607	3.170	29	108.7607	3.170	29	109.7854	19.545	87	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:2:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(N[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(N[5]C[5]){2|Cl<1>,1|C<3>,1|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(N[5]C[5]){2|Cl<1>,1|C<3>,1|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H){1|Cl<1>,2|C<3>}	107.8775	2.002	2	107.8775	4.007	2	107.4290	7.744	36	109.7854	19.545	87	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:2:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]){1|H<1>,4|C<3>}	107.5743	2.191	4	107.5743	4.802	4	107.4290	7.744	36	109.7854	19.545	87	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:2:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|H<1>,4|C<3>}	109.2230	0.000	1	107.1935	5.055	6	107.4290	7.744	36	109.7854	19.545	87	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:2:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]){1|H<1>,1|N<2>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|H<1>,4|C<3>}	106.3160	0.000	1	107.1935	5.055	6	107.4290	7.744	36	109.7854	19.545	87	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:2:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|H<1>,1|N<2>,3|C<3>}	107.5940	4.254	2	107.1935	5.055	6	107.4290	7.744	36	109.7854	19.545	87	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:2:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|H<1>,4|C<3>}	106.2170	0.247	2	107.1935	5.055	6	107.4290	7.744	36	109.7854	19.545	87	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:2:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|N<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]2){1|H<1>,4|C<3>}	108.6281	1.565	8	108.6281	2.450	8	107.4290	7.744	36	109.7854	19.545	87	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:2:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<2>,1|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<2>,1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C){1|H<1>,2|C<3>}	106.0390	1.657	2	106.7650	2.452	12	107.4290	7.744	36	109.7854	19.545	87	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:2:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C){1|H<1>,2|C<3>}	106.9102	1.597	10	106.7650	2.452	12	107.4290	7.744	36	109.7854	19.545	87	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:2:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H){1|H<1>,2|C<3>}	106.6055	12.450	2	106.6055	155.005	2	107.4290	7.744	36	109.7854	19.545	87	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:2:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|S<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|S<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S){1|H<1>,2|C<3>}	107.4070	3.043	2	107.4070	9.262	2	107.4290	7.744	36	109.7854	19.545	87	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:2:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:S[5]-3:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]F)(N[5]S[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]F)(S[5]S[5])	N[5](C[5,6a]C[5,6a]C[6a])(S[5]S[5]N)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]F)(N[5]S[5]){1|C<3>,1|N<2>,2|F<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]F)(S[5]S[5]){1|C<3>,1|F<1>,1|H<1>,1|N<2>}	N[5](C[5,6a]C[5,6a]C[6a])(S[5]S[5]N){1|F<1>,2|C<3>}	120.1600	0.000	1	120.1600	0.000	1	119.2267	0.709	3	109.7854	19.545	87	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:2:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:S[5]-3:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]S[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]S[5])	N[5](C[5,6a]C[5,6a]C[6a])(S[5]S[5]N)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]S[5]){1|C<3>,1|F<1>,1|H<1>,1|N<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]S[5]){1|C<3>,1|F<1>,1|H<1>,1|N<2>}	N[5](C[5,6a]C[5,6a]C[6a])(S[5]S[5]N){1|H<1>,2|C<3>}	118.9950	0.000	1	118.7600	0.110	2	119.2267	0.709	3	109.7854	19.545	87	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:2:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:S[5]-3:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]S[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]S[5])	N[5](C[5,6a]C[5,6a]C[6a])(S[5]S[5]N)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]S[5]){1|C<3>,1|N<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]S[5]){1|C<3>,1|N<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(S[5]S[5]N){1|H<1>,2|C<3>}	118.5250	0.000	1	118.7600	0.110	2	119.2267	0.709	3	109.7854	19.545	87	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:2:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Se[5])	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5]){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Se[5]){1|H<1>,4|C<3>}	117.0130	0.000	1	117.0130	0.000	1	117.3120	0.085	4	109.7854	19.545	87	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:2:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]S)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|S<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5]){1|C<3>,1|S<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]S){1|H<1>,2|C<3>}	117.4117	0.261	3	117.4117	0.068	3	117.3120	0.085	4	109.7854	19.545	87	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:2:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Se[5])	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]N[5]){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]N[5]){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Se[5]){1|H<1>,4|C<3>}	118.6672	0.687	4	118.6672	0.472	4	118.6672	0.472	4	109.7854	19.545	87	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:2:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:S[5]-3:	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]F)(N[5]S[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]F)(Se[5]S[5])	N[5](C[5,6a]C[5,6a]C[6a])(S[5]Se[5]N)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]F)(N[5]S[5]){1|C<3>,1|N<2>,2|F<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]F)(Se[5]S[5]){1|C<3>,1|F<1>,1|H<1>,1|N<2>}	N[5](C[5,6a]C[5,6a]C[6a])(S[5]Se[5]N){1|F<1>,2|C<3>}	121.6680	0.000	1	121.6680	0.000	1	121.6680	0.000	1	109.7854	19.545	87	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:2:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:N[6a]-3:N[5]-2:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]){1|H<1>,1|N<3>,2|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H){1|O<1>,2|N<3>}	108.4150	0.064	2	108.4150	0.004	2	108.4150	0.004	2	109.7854	19.545	87	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:2:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a,6a]-3:C[5,6a]-3:Se[5]-2:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a,6a]Se[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(Se[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Se[5])	C[5,6a](C[5,6a]C[6a,6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]){1|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(Se[5]C[5]){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Se[5]){1|H<1>,4|C<3>}	117.2590	0.124	2	117.2590	0.015	2	117.2590	0.015	2	109.7854	19.545	87	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:2:	3:3:	C[5,6a]-3:N[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5])	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5])	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]){1|H<1>,1|N<3>,2|O<1>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]){1|C<3>,1|H<1>,2|C<4>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H){1|C<4>,2|C<3>}	110.8120	0.573	2	110.8120	0.328	2	110.8120	0.328	2	109.7854	19.545	87	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:2:	3:3:	C[6a,6a]-3:C[5,6a]-3:N[5]-2:	C[6a,6a]-3:C[5,6a]-3:N[5]-2:	C[5,6a]-3:C[5]-3:	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5])	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5])	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5])	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]){1|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]){1|H<1>,5|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5]){5|C<3>}	108.1895	3.252	2	108.1895	10.575	2	108.3983	3.744	4	109.7854	19.545	87	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:2:	3:3:	C[6a,6a]-3:C[5,6a]-3:N[5]-2:	C[6a,6a]-3:C[5,6a]-3:N[5]-2:	C[5,6a]-3:C[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5])	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]N[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]){1|C<4>,1|H<1>,4|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]N[5]){1|Fe<10>,2|C<4>,3|C<3>}	108.6070	0.694	2	108.6070	0.482	2	108.3983	3.744	4	109.7854	19.545	87	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6,6a]-3:N[5]-2:	C[5,6a]-3:C[6,6a]-3:N[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5])	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5])	N[5](C[5,6a]C[5,6a]C[6,6a])(C[5]N[5]CC)	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5]){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5]){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6,6a])(C[5]N[5]CC){3|C<3>}	110.9360	0.000	1	110.9360	0.000	1	110.9360	0.000	1	113.6025	1.198	26	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a,6a]-3:N[5]-2:	C[5,6a]-3:C[6a,6a]-3:N[5]-2:	C[5,6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a,6a]C[6a,6a]2)(N[5]S[5])	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a,6a]C[6a,6a]2)(N[5]S[5])	N[5](C[5,6a]C[6a,6a]C[5,6a])(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a,6a]C[6a,6a]2)(N[5]S[5]){2|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a,6a]C[6a,6a]2)(N[5]S[5]){2|O<1>,5|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(S[5]N[5]OO){3|C<3>}	113.0958	0.283	6	113.0958	0.080	6	113.0958	0.080	6	113.6025	1.198	26	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2S[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2S[5]){1|H<1>,2|C<3>,2|N<2>,2|S<2>}	113.0080	0.000	1	113.0080	0.000	1	113.0080	0.000	1	113.6025	1.198	26	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[5,6a]-3:N[5]-2:	C[6a,6a]-3:C[5,6a]-3:N[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5])	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5a]N[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]){1|H<1>,1|N<3>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]){1|H<1>,1|N<3>,5|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5a]N[5]){7|C<3>}	111.2285	0.159	2	111.2285	0.025	2	111.2285	0.025	2	113.6025	1.198	26	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[5,6a]-3:N[5]-2:	C[6a,6a]-3:C[5,6a]-3:N[5]-2:	C[5,6a]-3:S[5]-4:	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]S[5])	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]S[5])	N[5](C[5,6a]C[6a,6a]C[5,6a])(S[5]N[5]OO)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]S[5]){1|H<1>,2|O<1>,4|C<3>}	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]S[5]){1|H<1>,2|O<1>,4|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(S[5]N[5]OO){3|C<3>}	114.0985	0.511	2	114.0985	0.261	2	114.2930	0.108	16	113.6025	1.198	26	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[5,6a]-3:N[5]-2:	C[6a,6a]-3:C[5,6a]-3:N[5]-2:	C[5,6a]-3:S[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]S[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]S[5])	N[5](C[5,6a]C[6a,6a]C[5,6a])(S[5]N[5]OO)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]S[5]){1|H<1>,1|N<2>,2|O<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]S[5]){1|H<1>,1|N<2>,2|O<1>,3|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(S[5]N[5]OO){3|C<3>}	114.2795	0.344	10	114.2854	0.099	12	114.2930	0.108	16	113.6025	1.198	26	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[5,6a]-3:N[5]-2:	C[6a,6a]-3:C[5,6a]-3:N[5]-2:	C[5,6a]-3:S[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]S[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]S[5])	N[5](C[5,6a]C[6a,6a]C[5,6a])(S[5]N[5]OO)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]S[5]){1|H<1>,2|O<1>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]S[5]){1|H<1>,2|O<1>,4|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(S[5]N[5]OO){3|C<3>}	114.3150	0.171	2	114.2854	0.099	12	114.2930	0.108	16	113.6025	1.198	26	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[5,6a]-3:N[5]-2:	C[6a,6a]-3:C[5,6a]-3:N[5]-2:	C[5,6a]-3:S[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[6a,6a]N[5])(N[5]S[5])	C[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[6a,6a]N[5])(N[5]S[5])	N[5](C[5,6a]C[6a,6a]C[5,6a])(S[5]N[5]OO)	C[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[6a,6a]N[5])(N[5]S[5]){1|N<2>,2|O<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[6a,6a]N[5])(N[5]S[5]){1|N<2>,2|O<1>,3|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(S[5]N[5]OO){1|N<2>,2|C<3>}	114.5330	0.280	2	114.5330	0.078	2	114.2930	0.108	16	113.6025	1.198	26	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:2:	C[5,6a]-3:C[6,6a]-3:N[5]-2:	C[5,6a]-3:C[6,6a]-3:N[5]-3:	C[5,6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]O[5])	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]O[5]O)	N[5](C[5,6a]C[5,6a]C[6,6a])(O[5]N[5])	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]O[5]){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]O[5]O){1|H<1>,1|N<3>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6,6a])(O[5]N[5]){1|O<1>,3|C<3>}	112.4560	0.365	2	112.4560	0.133	2	112.4560	0.133	2	114.5391	6.234	48	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]C){1|Cl<1>,1|C<3>,1|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]){1|H<1>,3|C<3>}	110.4780	0.139	2	110.4780	0.019	2	110.9896	0.487	5	114.5391	6.234	48	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]N)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]){1|C<3>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,1|H<1>,1|N<3>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]){1|H<1>,1|N<3>,2|C<3>}	111.3307	0.726	3	111.3307	0.527	3	110.9896	0.487	5	114.5391	6.234	48	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(N[5]O[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(N[5]O[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(N[5]O[5]){1|Br<1>,1|C<3>,1|H<1>,1|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(N[5]O[5]O){1|Br<1>,1|C<3>,1|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5]){1|Br<1>,1|O<1>,2|C<3>}	112.5468	0.519	4	112.5468	0.269	4	112.4557	0.088	15	114.5391	6.234	48	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(N[5]O[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(N[5]O[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(N[5]O[5]){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(N[5]O[5]O){1|Cl<1>,1|C<3>,1|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5]){1|Cl<1>,1|O<1>,2|C<3>}	112.4290	0.138	4	112.4290	0.019	4	112.4557	0.088	15	114.5391	6.234	48	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]O[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]O[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]O[5]){1|C<3>,1|H<1>,1|I<1>,1|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]O[5]O){1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5]){1|H<1>,1|O<1>,2|C<3>}	112.2405	0.187	2	112.3160	0.035	3	112.4557	0.088	15	114.5391	6.234	48	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]O[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]O[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]O[5]){1|C<3>,1|O<1>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]O[5]O){1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5]){1|H<1>,1|O<1>,2|C<3>}	112.4670	0.000	1	112.3160	0.035	3	112.4557	0.088	15	114.5391	6.234	48	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(N[5]O[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a]C[6a])(N[5]O[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(N[5]O[5]){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a]C[6a])(N[5]O[5]O){2|N<3>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5]){1|N<3>,1|O<1>,2|C<3>}	112.8460	0.000	1	112.8460	0.000	1	112.4557	0.088	15	114.5391	6.234	48	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(N[5]O[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]O[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(N[5]O[5]){1|C<3>,1|O<1>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]O[5]O){1|C<2>,1|C<3>,1|N<3>}	N[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5]){1|N<3>,1|O<1>,2|C<3>}	112.3797	0.136	3	112.3797	0.019	3	112.4557	0.088	15	114.5391	6.234	48	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(N[5]S[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(N[5]S[5]Pd)	N[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(N[5]S[5]){1|Pd<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(N[5]S[5]Pd){1|Br<1>,1|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5]){1|Br<1>,1|Pd<4>,2|C<3>}	114.1585	0.697	2	114.1585	0.485	2	114.5944	1.673	5	114.5391	6.234	48	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(N[5]S[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]B)	N[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(N[5]S[5]){1|B<4>,1|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]B){1|Br<1>,1|C<3>,1|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5]){1|Br<1>,1|B<4>,2|C<3>}	116.8120	0.000	1	116.8120	0.000	1	114.5944	1.673	5	114.5391	6.234	48	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]){1|C<3>,1|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]C){1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5]){1|C<4>,1|H<1>,2|C<3>}	113.8890	0.000	1	113.8890	0.000	1	114.5944	1.673	5	114.5391	6.234	48	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]Ru)	N[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]){1|Ru<6>,1|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]Ru){1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5]){1|Ru<6>,1|H<1>,2|C<3>}	113.9540	0.000	1	113.9540	0.000	1	114.5944	1.673	5	114.5391	6.234	48	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Se[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]B)	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]){1|B<4>,1|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]B){1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5]){1|B<4>,1|H<1>,2|C<3>}	116.2433	0.419	4	116.2433	0.176	4	116.9558	0.608	19	114.5391	6.234	48	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Se[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]){1|C<3>,1|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]C){1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5]){1|C<4>,1|H<1>,2|C<3>}	117.1459	0.749	15	117.1459	0.560	15	116.9558	0.608	19	114.5391	6.234	48	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:Se[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5])	C[5,6a](C[5,6a]C[6a]N[5])(N[5]Se[5]C[6])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]){1|C<3>,1|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]Se[5]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5]){1|C<4>,1|H<1>,2|C<3>}	118.0235	0.071	2	118.0235	0.005	2	118.0235	0.005	2	114.5391	6.234	48	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H)(N[5]C[5,5a])	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H)(N[5]C[5,5a]){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	113.4720	0.000	1	113.4720	0.000	1	114.2080	1.083	2	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H)(N[5]C[5,5a])	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H)(N[5]C[5,5a]){1|N<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	114.9440	0.000	1	114.9440	0.000	1	114.2080	1.083	2	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2){1|C<4>,1|H<1>,2|S<2>,3|C<3>}	108.0740	0.000	1	108.0740	0.000	1	108.5379	3.982	8	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6,6])	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6,6]){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	108.0420	0.000	1	108.1210	0.013	3	108.5379	3.982	8	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6,6])	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6,6]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	108.2510	0.000	1	108.1210	0.013	3	108.5379	3.982	8	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6,6])	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6,6]){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	108.0700	0.000	1	108.1210	0.013	3	108.5379	3.982	8	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	107.8100	0.000	1	107.4887	0.084	3	108.5379	3.982	8	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]){2|C<3>,2|C<4>,3|H<1>}	107.4120	0.000	1	107.4887	0.084	3	108.5379	3.982	8	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]){2|C<3>,2|C<4>,3|H<1>}	107.2440	0.000	1	107.4887	0.084	3	108.5379	3.982	8	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5,6])	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5,6]){1|C<4>,1|H<1>,4|C<3>}	113.4000	0.000	1	113.4000	0.000	1	108.5379	3.982	8	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]N[5])(C[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]N[5])(C[5]C[5]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H){1|C<4>,1|H<1>,2|C<3>}	107.2160	0.000	1	107.2160	0.000	1	107.2160	0.000	1	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)(N[5]C[5,6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)(N[5]C[5,6a]){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<4>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])2{1|C<4>,5|C<3>}	111.2360	0.000	1	111.2360	0.000	1	110.3638	5.200	9	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[5]C[5,6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[5]C[5,6a]){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|I<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])2{2|H<1>,4|C<3>}	108.4025	0.339	2	108.9165	0.434	4	110.3638	5.200	9	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[5]C[5,6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[5]C[5,6a]){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])2{1|H<1>,1|N<2>,4|C<3>}	109.4305	0.360	2	108.9165	0.434	4	110.3638	5.200	9	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[5])(N[5]C[5,6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[5])(N[5]C[5,6a]){1|N<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])2{2|N<3>,4|C<3>}	114.0935	0.035	2	114.0935	0.001	2	110.3638	5.200	9	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(N[5]C[5,6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(N[5]C[5,6a]){1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])2{1|H<1>,1|N<2>,4|C<3>}	109.0925	0.325	2	109.0925	0.105	2	110.3638	5.200	9	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]){1|N<3>,5|C<3>}	107.4420	0.071	2	107.4420	0.005	2	107.5877	0.157	7	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H){1|C<4>,1|H<1>,2|C<3>}	107.4510	0.000	1	107.4510	0.000	1	107.5877	0.157	7	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C){1|H<1>,3|C<3>}	107.5700	0.000	1	107.5700	0.000	1	107.5877	0.157	7	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H){1|H<1>,3|C<3>}	108.4710	0.000	1	107.7363	0.405	3	107.5877	0.157	7	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H){1|H<1>,3|C<3>}	107.3690	0.000	2	107.7363	0.405	3	107.5877	0.157	7	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[5]C[5,6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5,6a]C[6a]N[5])	N[5](C[5,6a]C[5,6a]C[6a])2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[5]C[5,6a]){7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5,6a]C[6a]N[5]){1|H<1>,1|N<2>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])2{1|C<4>,5|C<3>}	113.2290	0.000	1	113.2290	0.000	1	113.2290	0.000	1	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]){1|N<3>,2|C<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]C){1|N<3>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N){1|C<2>,3|C<3>}	108.8230	0.000	1	108.8230	0.000	1	109.8684	6.905	37	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]N)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|N<2>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]N){1|C<3>,1|N<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N){1|H<1>,1|N<2>,2|C<3>}	110.0830	0.000	1	110.0830	0.000	1	109.8684	6.905	37	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2){3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H){1|C<4>,1|H<1>,2|C<3>}	108.0630	0.000	1	108.0630	0.000	1	109.8684	6.905	37	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C){1|C<4>,1|H<1>,2|C<3>}	107.7250	0.000	1	108.1665	0.390	2	109.8684	6.905	37	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C){1|H<1>,3|C<3>}	108.6080	0.000	1	108.1665	0.390	2	109.8684	6.905	37	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|Br<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H){1|H<1>,3|C<3>}	107.4685	0.409	2	107.3051	0.253	11	109.8684	6.905	37	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H){1|C<4>,1|H<1>,2|C<3>}	107.2160	0.000	1	107.3051	0.253	11	109.8684	6.905	37	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H){1|C<4>,1|H<1>,2|C<3>}	107.3426	0.419	5	107.3051	0.253	11	109.8684	6.905	37	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H){1|C<4>,1|H<1>,2|C<3>}	106.1610	0.000	1	107.3051	0.253	11	109.8684	6.905	37	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Br<1>,1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H){1|H<1>,3|C<3>}	107.5660	0.000	1	107.3051	0.253	11	109.8684	6.905	37	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H){1|H<1>,3|C<3>}	107.7630	0.000	1	107.3051	0.253	11	109.8684	6.905	37	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|N<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]){1|C<4>,1|H<1>,4|C<3>}	112.2950	0.000	1	112.2950	0.000	1	109.8684	6.905	37	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2){1|N<3>,2|H<1>,4|C<3>}	108.0780	0.000	1	108.0780	0.000	1	109.8684	6.905	37	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C){2|C<3>,2|H<1>}	111.1780	0.000	1	111.1780	0.000	1	109.8684	6.905	37	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]I)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|I<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]I){1|Cl<1>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C){1|H<1>,1|I<1>,2|C<3>}	108.0530	0.000	1	108.0530	0.000	1	109.8684	6.905	37	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|N<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2){1|H<1>,2|N<2>,3|C<3>}	112.3865	0.052	2	112.3865	0.003	2	109.8684	6.905	37	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|N<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N){1|H<1>,1|N<2>,2|C<3>}	114.2720	0.000	1	113.9950	0.153	2	109.8684	6.905	37	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|Br<1>,1|C<3>,1|H<1>,1|N<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N){1|H<1>,1|N<3>,2|C<3>}	113.7180	0.000	1	113.9950	0.153	2	109.8684	6.905	37	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|H<1>,1|I<1>,1|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|H<1>,1|N<2>,2|C<3>}	109.9810	0.000	1	109.9810	0.000	1	109.8684	6.905	37	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|N<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|F<1>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	112.8570	0.000	1	113.0080	0.046	2	109.8684	6.905	37	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|N<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	113.1590	0.000	1	113.0080	0.046	2	109.8684	6.905	37	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|N<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N){1|H<1>,1|O<1>,2|C<3>}	113.8300	0.000	1	113.8300	0.000	1	109.8684	6.905	37	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	112.5583	0.087	3	112.8302	0.142	5	109.8684	6.905	37	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]){1|H<1>,1|O<1>,4|C<3>}	113.2380	0.000	2	112.8302	0.142	5	109.8684	6.905	37	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]){1|H<1>,1|O<1>,4|C<3>}	112.3550	0.000	1	112.3550	0.000	1	109.8684	6.905	37	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|S<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]S){1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H){1|H<1>,1|S<2>,2|C<3>}	107.7230	0.000	1	107.7230	0.000	1	109.8684	6.905	37	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(C[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(C[5]C[5]C){1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H){1|C<4>,1|H<1>,2|C<3>}	108.0470	0.000	1	108.0470	0.000	1	109.8684	6.905	37	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]H){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H){2|C<3>,2|H<1>}	107.0030	0.000	1	107.0030	0.000	1	109.8684	6.905	37	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O){1|H<1>,3|C<3>}	107.9080	0.000	1	107.9080	0.000	1	106.6920	2.957	2	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|O<1>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O){2|C<3>,2|H<1>}	105.4760	0.000	1	105.4760	0.000	1	106.6920	2.957	2	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Al)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]){1|Al<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Al){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5]){1|Al<4>,1|H<1>,4|C<3>}	109.6230	0.000	1	109.1934	0.132	14	109.2590	0.307	41	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Al)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]){1|Al<5>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Al){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5]){1|Al<5>,1|H<1>,4|C<3>}	109.1603	0.355	13	109.1934	0.132	14	109.2590	0.307	41	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Co)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]){1|Co<6>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Co){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5]){1|Co<6>,1|H<1>,4|C<3>}	108.9893	0.382	6	108.9893	0.146	6	109.2590	0.307	41	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Cu)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]){1|Cu<4>,1|C<3>,1|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Cu){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]C){1|Cu<4>,1|H<1>,2|C<3>}	108.9535	0.332	2	108.9535	0.110	2	109.2590	0.307	41	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]){1|Co<6>,1|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Co<6>,1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Co){2|C<3>,2|H<1>}	108.3590	0.000	1	108.3590	0.000	1	109.2590	0.307	41	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Ni)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]){1|Ni<6>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Ni){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5]){1|Ni<6>,1|H<1>,4|C<3>}	109.1191	0.307	9	109.1191	0.094	9	109.2590	0.307	41	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]){1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]O){1|Cl<1>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5]){1|H<1>,1|O<1>,4|C<3>}	111.2290	0.000	1	110.9820	0.122	2	109.2590	0.307	41	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]){1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]O){1|H<1>,1|N<3>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5]){1|H<1>,1|O<1>,4|C<3>}	110.7350	0.000	1	110.9820	0.122	2	109.2590	0.307	41	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Pd)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]){1|Pd<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Pd){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5]){1|Pd<4>,1|H<1>,4|C<3>}	109.9680	0.000	1	109.9680	0.000	1	109.2590	0.307	41	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Re)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]){1|Re<6>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Re){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5]){1|Re<6>,1|H<1>,4|C<3>}	109.6547	0.351	3	109.6547	0.123	3	109.2590	0.307	41	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Ta)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]){1|Ta<7>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Ta){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6]N[5]){1|Ta<7>,1|C<4>,1|H<1>,3|C<3>}	109.1440	0.000	1	109.1440	0.000	1	109.2590	0.307	41	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Zn)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]){1|Zn<6>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Zn){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5]){1|Zn<6>,1|H<1>,4|C<3>}	109.2985	0.013	2	109.2985	0.000	2	109.2590	0.307	41	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:N[5,5]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]N[5,5])	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]N[5,5]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(N[5,5]N[5,5]C[5])	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]N[5,5]){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]N[5,5]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5,5]N[5,5]C[5]){1|Re<6>,1|C<4>,1|H<1>,3|C<3>}	110.0960	0.000	1	110.0960	0.000	1	110.0960	0.000	1	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:B[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]B[5])	C[5,6a](C[5,6a]C[6a]N[5])(N[5]B[5]C[6])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(B[5]N[5]Ir)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]B[5]){1|Ir<8>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]B[5]C[6])(C[6a]C[6a]H){1|Ir<8>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(B[5]N[5]Ir){1|H<1>,3|C<3>}	110.7440	0.000	1	110.7440	0.000	1	110.7440	0.000	1	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O){1|H<1>,3|C<3>}	107.5400	0.000	1	107.5400	0.000	1	107.5400	0.000	1	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Cd)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]){1|Cd<6>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5a]N[5])(C[6a]C[6a]H){1|Cd<6>,1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Cd){1|H<1>,3|C<3>}	109.6480	0.000	1	109.6480	0.000	1	110.2210	0.657	2	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]){1|Ru<6>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6]N[5])(C[6a]C[6a]H){1|Ru<6>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Ru){1|H<1>,3|C<3>}	110.7940	0.000	1	110.7940	0.000	1	110.2210	0.657	2	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]2)(N[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]2)(N[5]C[5]){1|H<1>,1|I<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]C){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H){4|C<3>}	108.5500	0.000	1	108.5500	0.000	1	108.5500	0.000	1	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:N[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a]C)(N[5]C[5])	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(C[5]C[5]C)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a]C)(N[5]C[5]){1|N<3>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(C[5]C[5]C){2|C<3>,2|C<4>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]C){1|C<4>,3|C<3>}	112.9870	0.000	1	112.9870	0.000	1	112.9870	0.000	1	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:N[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]N[5])	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]N[5]Ni)	N[5](C[5,6a]C[5,6a]N[6a])(N[5]N[5]Ni)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]N[5]){2|Ni<6>,1|N<3>,2|O<1>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]N[5]Ni){1|Ni<6>,1|C<3>,2|C<4>}	N[5](C[5,6a]C[5,6a]N[6a])(N[5]N[5]Ni){1|Ni<6>,1|C<4>,2|C<3>}	110.5817	0.720	3	110.5817	0.519	3	110.5817	0.519	3	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5a,6a]-3:C[5,6a]-3:N[5]-2:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5a,6a]C[5a,6a]N[5a,6])(C[5,6a]C[6a,6a]C[5])(N[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5a,6a]N[5])(C[5]C[5]C)	N[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]H)	C[5,6a](C[5a,6a]C[5a,6a]N[5a,6])(C[5,6a]C[6a,6a]C[5])(N[5]C[5]){1|B<4>,1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5a,6a]N[5])(C[5]C[5]C){1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]H){1|C<4>,1|N<3>,2|C<3>}	108.3220	0.000	1	108.3220	0.000	1	111.1462	3.561	5	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5a,6a]-3:C[5,6a]-3:N[5]-2:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a,6a]C[5])(N[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5a,6a]N[5])(C[5]C[5]C)	N[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]C)	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a,6a]C[5])(N[5]C[5]){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5a,6a]N[5])(C[5]C[5]C){1|H<1>,1|N<3>,4|C<3>}	N[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]C){1|C<4>,1|N<3>,2|C<3>}	111.8730	0.000	1	111.6755	0.078	2	111.1462	3.561	5	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5a,6a]-3:C[5,6a]-3:N[5]-2:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a,6a]C[5])(N[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5a,6a]N[5])(C[5]C[5]C)	N[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]C)	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a,6a]C[5])(N[5]C[5]){1|C<4>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5a,6a]N[5])(C[5]C[5]C){1|H<1>,1|N<2>,4|C<3>}	N[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]C){1|C<4>,1|N<2>,2|C<3>}	111.4780	0.000	1	111.6755	0.078	2	111.1462	3.561	5	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5a,6a]-3:C[5,6a]-3:N[5]-2:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a,6a]C[5])(N[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5a,6a]N[5])(C[5]C[5]H)	N[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]C)	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a,6a]C[5])(N[5]C[5]){1|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5a,6a]N[5])(C[5]C[5]H){1|H<1>,1|N<2>,4|C<3>}	N[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]C){1|H<1>,1|N<2>,2|C<3>}	113.4560	0.000	1	112.0290	4.073	2	111.1462	3.561	5	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5a,6a]-3:C[5,6a]-3:N[5]-2:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a,6a]C[5])(N[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5a,6a]N[5])(C[5]C[5]H)	N[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]C)	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a,6a]C[5])(N[5]C[5]){2|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5a,6a]N[5])(C[5]C[5]H){1|H<1>,1|N<3>,4|C<3>}	N[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]C){1|H<1>,1|N<3>,2|C<3>}	110.6020	0.000	1	112.0290	4.073	2	111.1462	3.561	5	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[5,6a]-3:N[5]-2:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[5])(N[5]C[5])	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[5,6a]C[5,6a]C[5])(C[5]C[5]H)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)	C[5,6a](C[6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[5])(N[5]C[5]){1|H<1>,1|N<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[5,6a]C[5,6a]C[5])(C[5]C[5]H){1|H<1>,1|N<2>,4|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C){1|H<1>,3|C<3>}	110.7465	0.255	4	110.7465	0.065	4	110.7465	0.065	4	109.6260	4.118	127	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6,6a]-3:N[5]-2:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]S[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6,6a]N[5])(N[5]S[5]H)	N[5](C[5,6a]C[5,6a]C[6,6a])(S[5]N[5]OO)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]S[5]){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6,6a]N[5])(N[5]S[5]H){1|H<1>,1|N<2>,2|O<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6,6a])(S[5]N[5]OO){1|H<1>,3|C<3>}	115.8950	0.000	1	115.8950	0.000	1	115.8950	0.000	1	112.8064	10.267	5	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,6])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,6]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,6]O){1|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5]){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	113.6310	0.000	1	113.6310	0.000	1	113.6310	0.000	1	112.8064	10.267	5	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	107.8290	0.000	1	107.8290	0.000	1	109.7540	7.411	2	112.8064	10.267	5	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]){1|Cu<3>,1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC){1|Cu<3>,1|H<1>,2|C<3>}	111.6790	0.000	1	111.6790	0.000	1	109.7540	7.411	2	112.8064	10.267	5	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[5,6a]-3:N[5]-2:	C[5,6a]-3:C[6,6a]-3:N[5]-3:	C[5,6a]-3:S[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6,6a]N[5])(N[5]S[5])	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]S[5]H)	N[5](C[5,6a]C[6a,6a]C[5,6a])(S[5]N[5]OO)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6,6a]N[5])(N[5]S[5]){1|N<2>,2|H<1>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]S[5]H){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(S[5]N[5]OO){1|H<1>,3|C<3>}	114.9980	0.000	1	114.9980	0.000	1	114.9980	0.000	1	112.8064	10.267	5	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:4:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(C[5]C[5]CO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(N[5]C[5]){1|Si<4>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(C[5]C[5]CO){1|Si<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	110.7530	0.061	2	110.7530	0.004	2	111.4329	0.892	37	111.6629	1.613	42	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:4:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|Br<1>,1|C<3>,1|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C){1|Br<1>,2|C<3>,2|C<4>}	112.1360	0.000	1	112.1360	0.000	1	111.4329	0.892	37	111.6629	1.613	42	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:4:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Cl<1>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]){1|Cl<1>,2|C<4>,4|C<3>}	112.2510	0.000	1	112.2510	0.000	1	111.4329	0.892	37	111.6629	1.613	42	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:4:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){2|C<3>,3|H<1>}	109.5910	0.000	1	109.5910	0.000	1	111.4329	0.892	37	111.6629	1.613	42	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:4:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){2|Cl<1>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CH){1|C<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){2|H<1>,3|C<3>}	108.5650	0.000	1	108.5650	0.000	1	111.4329	0.892	37	111.6629	1.613	42	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:4:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|C<4>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H){1|H<1>,2|C<3>,2|C<4>}	110.7640	0.000	1	110.7640	0.000	1	111.4329	0.892	37	111.6629	1.613	42	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:4:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|H<1>,2|C<3>,2|C<4>}	109.7440	0.000	1	109.7440	0.000	1	111.4329	0.892	37	111.6629	1.613	42	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:4:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2){2|C<3>,2|H<1>,4|C<4>}	111.7150	0.030	2	111.7150	0.001	2	111.4329	0.892	37	111.6629	1.613	42	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:4:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C){1|H<1>,2|C<3>,2|C<4>}	111.8865	0.078	2	111.7186	0.106	13	111.4329	0.892	37	111.6629	1.613	42	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:4:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C){1|H<1>,2|C<3>,2|C<4>}	111.6640	0.502	2	111.7186	0.106	13	111.4329	0.892	37	111.6629	1.613	42	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:4:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C){1|H<1>,2|C<3>,2|C<4>}	111.6934	0.344	9	111.7186	0.106	13	111.4329	0.892	37	111.6629	1.613	42	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:4:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]){2|C<3>,2|H<1>,4|C<4>}	111.9793	0.464	4	111.9793	0.215	4	111.4329	0.892	37	111.6629	1.613	42	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:4:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]){1|C<4>,1|H<1>,5|C<3>}	111.1620	0.000	1	111.1620	0.000	1	111.4329	0.892	37	111.6629	1.613	42	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:4:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|N<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	111.3790	2.070	2	111.3790	4.287	2	111.4329	0.892	37	111.6629	1.613	42	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:4:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	111.9260	0.000	1	111.9260	0.000	1	111.4329	0.892	37	111.6629	1.613	42	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:4:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	111.9990	0.000	1	111.9990	0.000	1	111.4329	0.892	37	111.6629	1.613	42	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:4:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|N<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	112.3770	0.321	2	112.3770	0.103	2	111.4329	0.892	37	111.6629	1.613	42	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:4:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,2|H<1>,2|S<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CS){1|C<3>,1|S<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	111.9540	0.000	1	111.9540	0.000	1	111.4329	0.892	37	111.6629	1.613	42	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:4:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|O<1>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){2|C<3>,3|H<1>}	109.8200	0.000	1	109.8200	0.000	1	111.4329	0.892	37	111.6629	1.613	42	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:4:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]NP)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|N<3>,1|O<1>,1|P<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]NP){1|C<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|H<1>,1|N<3>,1|P<4>,2|C<3>}	110.3990	0.000	1	110.3990	0.000	1	111.4329	0.892	37	111.6629	1.613	42	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:4:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5]CS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]){1|H<1>,1|S<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5]CS){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5]){1|C<4>,1|H<1>,1|S<1>,4|C<3>}	117.0530	0.000	1	117.0530	0.000	1	117.0530	0.000	1	111.6629	1.613	42	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:4:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]CC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]CC){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C){1|H<1>,2|C<3>,2|C<4>}	112.3450	0.000	1	112.3450	0.000	1	112.3450	0.000	1	111.6629	1.613	42	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:4:	3:3:	C[6a,6a]-3:C[5,6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5])	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|H<1>,3|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C){2|C<4>,3|C<3>}	112.0740	0.000	1	112.0740	0.000	1	112.1670	0.017	2	111.6629	1.613	42	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:4:	3:3:	C[6a,6a]-3:C[5,6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5])	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]O[6a]O)(C[5]C[5]CC)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]O[6a]O)(C[5]C[5]CC){3|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]){1|C<4>,6|C<3>}	112.2600	0.000	1	112.2600	0.000	1	112.1670	0.017	2	111.6629	1.613	42	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:3:4:	3:3:	C[6a,6a]-3:C[5,6a]-3:N[5]-2:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(N[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(C[5]C[6a]C[5]C)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(N[5]C[5]){1|C<4>,1|H<1>,6|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(C[5]C[6a]C[5]C){1|H<1>,7|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]){1|C<4>,6|C<3>}	113.0930	0.000	1	113.0930	0.000	1	113.0930	0.000	1	111.6629	1.613	42	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:4:2:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:P[5]-4:N[6a]-2:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]N[6a]P[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(P[5]C[6a]C[5]Rh)(N[6a]C[6a])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]C)	C[5,6a](C[5,6a]N[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]){1|Rh<6>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(P[5]C[6a]C[5]Rh)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]C){1|Rh<6>,1|H<1>,1|N<2>,2|C<3>}	116.6670	0.000	1	116.6670	0.000	1	116.6670	0.000	1	116.6670	0.000	1	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:4:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(N[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(N[5]N[5]){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5]){1|H<1>,6|C<3>}	114.4540	0.000	1	114.4540	0.000	1	114.4540	0.000	1	111.3434	1.830	31	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:4:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	109.6610	0.071	2	109.6393	0.004	3	111.2647	1.356	20	111.3434	1.830	31	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:4:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	109.5960	0.000	1	109.6393	0.004	3	111.2647	1.356	20	111.3434	1.830	31	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:4:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	112.0550	0.000	2	112.0550	0.000	2	111.2647	1.356	20	111.3434	1.830	31	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:4:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<2>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	109.5320	0.000	1	109.5320	0.000	1	111.2647	1.356	20	111.3434	1.830	31	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:4:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C){1|H<1>,2|C<3>,2|C<4>}	112.6430	0.000	1	112.2057	0.092	6	111.2647	1.356	20	111.3434	1.830	31	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:4:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,3|C<3>,3|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C){1|H<1>,2|C<3>,2|C<4>}	112.0095	0.170	2	112.2057	0.092	6	111.2647	1.356	20	111.3434	1.830	31	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:4:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C){1|H<1>,2|C<3>,2|C<4>}	112.3215	0.244	2	112.2057	0.092	6	111.2647	1.356	20	111.3434	1.830	31	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:4:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C){1|C<4>,1|H<1>,3|C<3>}	111.9290	0.000	1	112.2057	0.092	6	111.2647	1.356	20	111.3434	1.830	31	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:4:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]){1|H<1>,2|C<4>,4|C<3>}	111.9960	0.150	2	111.9960	0.022	2	111.2647	1.356	20	111.3434	1.830	31	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:4:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]H){1|H<1>,2|C<3>,2|C<4>}	111.5675	0.306	2	111.3272	0.241	5	111.2647	1.356	20	111.3434	1.830	31	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:4:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){2|C<4>,3|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]H){1|H<1>,2|C<3>,2|C<4>}	111.8210	0.000	1	111.3272	0.241	5	111.2647	1.356	20	111.3434	1.830	31	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:4:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){4|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]H){1|C<4>,1|H<1>,3|C<3>}	110.8400	0.190	2	111.3272	0.241	5	111.2647	1.356	20	111.3434	1.830	31	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:4:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O){1|H<1>,2|C<3>,2|C<4>}	108.8710	0.000	1	108.8710	0.000	1	111.2647	1.356	20	111.3434	1.830	31	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:4:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,3|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]H){1|H<1>,2|C<3>,2|C<4>}	111.4670	0.000	1	111.6795	0.090	2	111.6795	0.090	2	111.3434	1.830	31	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:4:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){2|C<3>,2|C<4>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]H){1|H<1>,2|C<3>,2|C<4>}	111.8920	0.000	1	111.6795	0.090	2	111.6795	0.090	2	111.3434	1.830	31	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:4:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]CoC)(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]){1|Co<9>,1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]CoC)(C[6a]C[6a]H){1|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C){1|Co<9>,1|C<4>,3|C<3>}	111.8700	0.000	1	111.8700	0.000	1	110.8123	2.462	7	111.3434	1.830	31	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:4:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[3]C[5]H)(C[6a]C[6a]Cl)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[3]C[5]H)(C[6a]C[6a]Cl){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	108.6970	0.000	1	108.6970	0.000	1	110.8123	2.462	7	111.3434	1.830	31	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:4:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]ClC)(C[6a]C[6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|Cl<1>,1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]ClC)(C[6a]C[6a]C){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2){1|Cl<1>,1|H<1>,2|C<4>,4|C<3>}	112.1570	0.000	1	112.1570	0.000	1	110.8123	2.462	7	111.3434	1.830	31	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:4:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|H<1>,4|C<3>}	109.1000	0.000	1	109.1000	0.000	1	110.8123	2.462	7	111.3434	1.830	31	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:4:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C){1|C<4>,1|H<1>,3|C<3>}	111.7350	0.000	1	111.7350	0.000	1	110.8123	2.462	7	111.3434	1.830	31	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:4:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|C<4>,1|H<1>,3|C<3>}	109.7480	0.000	1	109.7480	0.000	1	110.8123	2.462	7	111.3434	1.830	31	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:4:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N){1|H<1>,1|O<2>,3|C<3>}	112.3790	0.000	1	112.3790	0.000	1	110.8123	2.462	7	111.3434	1.830	31	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	3:4:3:	3:3:	C[6a,6a]-3:C[5,6a]-3:N[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5])	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[5]C[6a]C[5]O)(C[6a]O[6a]O)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]){1|H<1>,1|O<1>,2|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[5]C[6a]C[5]O)(C[6a]O[6a]O){5|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]){1|O<2>,6|C<3>}	112.8540	0.000	1	112.8540	0.000	1	112.8540	0.000	1	111.3434	1.830	31	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	4:3:3:	3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]N[5])	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5])	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]N[5]){2|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]){1|H<1>,4|C<3>}	110.7950	0.000	1	110.7950	0.000	1	110.7950	0.000	1	110.7950	0.000	1	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	4:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	B[5,5a]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:	C[5,6a](C[5,6a]B[5,5a]C[6a])(C[6a]C[6a]H)(N[5]N[5])	C[5,6a](B[5,5a]O[5a]2N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5,5a]C[6a])	C[5,6a](C[5,6a]B[5,5a]C[6a])(C[6a]C[6a]H)(N[5]N[5]){2|C<3>,2|H<1>,2|O<2>}	C[5,6a](B[5,5a]O[5a]2N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5,5a]C[6a]){1|H<1>,2|O<2>,4|C<3>}	114.2280	0.256	2	114.2280	0.066	2	114.2280	0.066	2	112.0837	0.937	51	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	4:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[3,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:	C[5,6a](C[5,6a]C[3,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[5,6a](C[3,5,6]C[3,6]C[5,6]C[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[3,5,6]N[6])	C[5,6a](C[5,6a]C[3,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[3,5,6]C[3,6]C[5,6]C[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[3,5,6]N[6]){1|H<1>,1|S<4>,2|C<4>,3|C<3>}	112.2140	0.000	1	112.2140	0.000	1	112.2140	0.000	1	112.0837	0.937	51	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	4:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<2>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	111.7690	0.000	1	111.9910	0.099	2	111.9910	0.099	2	112.0837	0.937	51	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	4:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	112.2130	0.000	1	111.9910	0.099	2	111.9910	0.099	2	112.0837	0.937	51	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	4:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,3x6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[5,6a](C[5,3x6]C[4x6]C[5,6]C[6,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6]C[5,3x6]C[6,6])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,3x6]C[4x6]C[5,6]C[6,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	N[5](C[5,6]C[5,3x6]C[6,6])(C[5,6a]C[5,6a]C[6a]){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	112.1790	0.000	1	112.1790	0.000	1	112.1790	0.000	1	112.0837	0.937	51	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	4:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6]C[5,5,6]C[3x6])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	N[5](C[5,6]C[5,5,6]C[3x6])(C[5,6a]C[5,6a]C[6a]){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	111.9570	0.000	1	111.9570	0.000	1	111.9570	0.000	1	112.0837	0.937	51	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	4:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[5,6a]H)(N[5]C[5,6])	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[5,6a]H)(N[5]C[5,6]){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6]){1|H<1>,3|C<3>,3|C<4>}	109.7910	0.000	1	109.7910	0.000	1	111.0243	1.255	3	112.0837	0.937	51	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	4:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6]){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	111.3030	0.000	1	111.6410	0.228	2	111.0243	1.255	3	112.0837	0.937	51	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	4:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|Cl<1>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6]){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	111.9790	0.000	1	111.6410	0.228	2	111.0243	1.255	3	112.0837	0.937	51	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	4:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5,6]N)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5,6]N){1|H<1>,2|C<3>,2|C<4>}	112.6270	0.000	1	112.6270	0.000	1	112.6270	0.000	1	112.0837	0.937	51	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	4:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5])	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5])	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]){1|H<1>,3|C<3>,3|C<4>}	113.0980	0.107	2	113.0980	0.012	2	113.0980	0.012	2	112.0837	0.937	51	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	4:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	109.2670	0.000	1	109.2670	0.000	1	109.2670	0.000	1	112.0837	0.937	51	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	4:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]N[5])	C[5,6a](C[5,5]C[5,6a]2N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]N[5]){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]2N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C){1|H<1>,4|C<3>}	110.9710	0.000	1	112.4675	4.479	2	112.4675	4.479	2	112.0837	0.937	51	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	4:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]N[5])	C[5,6a](C[5,5]C[5,6a]2N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]N[5]){2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]2N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C){1|H<1>,4|C<3>}	113.9640	0.000	1	112.4675	4.479	2	112.4675	4.479	2	112.0837	0.937	51	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	4:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6]C[5,6,6]C[6,6])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	N[5](C[5,6]C[5,6,6]C[6,6])(C[5,6a]C[5,6a]C[6a]){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	111.9170	0.000	1	111.9367	0.062	3	111.9367	0.062	3	112.0837	0.937	51	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	4:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6]C[5,6,6]C[6,6])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	N[5](C[5,6]C[5,6,6]C[6,6])(C[5,6a]C[5,6a]C[6a]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	111.9465	0.351	2	111.9367	0.062	3	111.9367	0.062	3	112.0837	0.937	51	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	4:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){2|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	N[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a]){1|H<1>,6|C<3>}	112.0840	0.000	1	112.0840	0.000	1	112.0840	0.000	1	112.0837	0.937	51	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	4:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(N[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[5a]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(N[5]C[5,6]){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[5a]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]){1|Cl<1>,2|C<4>,2|H<1>,3|C<3>}	112.2960	0.000	1	112.2960	0.000	1	112.1428	0.472	25	112.0837	0.937	51	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	4:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[5,6a](C[5,6]C[4,6]C[5,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[4,6]C[5,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]){1|H<1>,3|C<3>,3|C<4>}	112.1820	0.187	4	112.1820	0.035	4	112.1428	0.472	25	112.0837	0.937	51	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	4:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]){2|C<3>,3|C<4>,3|H<1>}	111.6620	0.000	1	111.6620	0.000	1	112.1428	0.472	25	112.0837	0.937	51	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	4:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6])	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|Br<1>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]){1|H<1>,2|C<4>,4|C<3>}	113.2820	2.063	2	113.2820	4.257	2	112.1428	0.472	25	112.0837	0.937	51	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	4:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6,6])	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6,6]){1|H<1>,3|C<3>,4|C<4>}	111.9595	0.298	6	111.9595	0.089	6	112.1428	0.472	25	112.0837	0.937	51	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	4:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]){2|C<3>,3|C<4>,3|H<1>}	112.3170	0.000	1	111.6132	0.264	4	112.1428	0.472	25	112.0837	0.937	51	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	4:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]){2|C<3>,3|C<4>,3|H<1>}	111.2990	0.000	1	111.6132	0.264	4	112.1428	0.472	25	112.0837	0.937	51	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	4:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]){1|H<1>,1|N<3>,2|C<3>,4|C<4>}	111.1710	0.000	1	111.6132	0.264	4	112.1428	0.472	25	112.0837	0.937	51	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	4:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]){2|C<3>,3|C<4>,3|H<1>}	111.6660	0.000	1	111.6132	0.264	4	112.1428	0.472	25	112.0837	0.937	51	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	4:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6])	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]){1|H<1>,3|C<3>,3|C<4>}	112.6750	0.000	1	112.4826	0.149	5	112.1428	0.472	25	112.0837	0.937	51	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	4:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6])	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,2|N<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]){1|H<1>,3|C<3>,3|C<4>}	112.1750	0.503	2	112.4826	0.149	5	112.1428	0.472	25	112.0837	0.937	51	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	4:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6])	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]){1|H<1>,2|C<4>,4|C<3>}	112.6940	0.163	2	112.4826	0.149	5	112.1428	0.472	25	112.0837	0.937	51	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	4:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	111.5370	0.000	1	111.8490	0.195	2	112.1428	0.472	25	112.0837	0.937	51	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	4:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	112.1610	0.000	1	111.8490	0.195	2	112.1428	0.472	25	112.0837	0.937	51	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	4:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C){1|H<1>,2|C<3>,2|C<4>}	111.6180	0.000	1	111.6180	0.000	1	111.6434	0.946	5	112.0837	0.937	51	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	4:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5a])	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	112.5010	0.000	1	112.5010	0.000	1	111.6434	0.946	5	112.0837	0.937	51	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	4:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	109.9970	0.000	1	109.9970	0.000	1	111.6434	0.946	5	112.0837	0.937	51	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	4:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]H){1|C<4>,1|H<1>,3|C<3>}	111.9980	0.000	1	112.0505	0.006	2	111.6434	0.946	5	112.0837	0.937	51	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	4:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]H){1|C<4>,1|H<1>,3|C<3>}	112.1030	0.000	1	112.0505	0.006	2	111.6434	0.946	5	112.0837	0.937	51	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	4:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5]C[5x3,5x5,20x6]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<6>,2|C<4>,2|H<1>}	C[5,6a](C[5]C[5x3,5x5,20x6]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|C<6>,2|H<1>,4|B<6>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C){1|C<4>,1|C<6>,1|H<1>,2|C<3>}	111.6990	0.000	1	111.6990	0.000	1	111.6990	0.000	1	112.0837	0.937	51	112.3908	17.118	569	112.3835	16.964	579
727	727	960	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5]	3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a]){2|C<4>,2|H<1>,4|C<3>}	110.4790	0.000	1	110.4790	0.000	1	110.4790	0.000	1	110.4790	0.000	1	112.3908	17.118	569	112.3835	16.964	579
727	727	961	0:SP2_SP2_SP3	C[5a,6]	C[5a]	S[6]	3:3:4:	3:3:1:	3:3:1:1:	C[5a,6]-3:C[5a]-3:S[6]-4:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:N[6]-3:O-1:O-1:	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(S[6]N[6]OO)	C[5a](C[5a,6]C[5a,6]S[6])(C[5a]S[5a]Cl)(H)	S[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(O)2	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>}	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>}	S[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(O)2{1|H<1>,1|S<2>,3|C<3>}	128.7197	0.414	3	128.7216	0.093	5	129.0947	0.406	13	129.0947	0.406	13	129.0947	0.406	13	129.0947	0.406	13
727	727	961	0:SP2_SP2_SP3	C[5a,6]	C[5a]	S[6]	3:3:4:	3:3:1:	3:3:1:1:	C[5a,6]-3:C[5a]-3:S[6]-4:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:N[6]-3:O-1:O-1:	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(S[6]N[6]OO)	C[5a](C[5a,6]C[5a,6]S[6])(C[5a]S[5a]Cl)(H)	S[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(O)2	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>}	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>}	S[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(O)2{1|H<1>,1|S<2>,3|C<3>}	128.7245	0.172	2	128.7216	0.093	5	129.0947	0.406	13	129.0947	0.406	13	129.0947	0.406	13	129.0947	0.406	13
727	727	961	0:SP2_SP2_SP3	C[5a,6]	C[5a]	S[6]	3:3:4:	3:3:1:	3:3:1:1:	C[5a,6]-3:C[5a]-3:S[6]-4:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:N[6]-3:O-1:O-1:	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(S[6]N[6]OO)	C[5a](C[5a,6]C[5a,6]S[6])(C[5a]S[5a]H)(H)	S[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(O)2	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>}	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>}	S[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(O)2{1|H<1>,1|S<2>,3|C<3>}	129.2096	0.656	7	129.3279	0.481	8	129.0947	0.406	13	129.0947	0.406	13	129.0947	0.406	13	129.0947	0.406	13
727	727	961	0:SP2_SP2_SP3	C[5a,6]	C[5a]	S[6]	3:3:4:	3:3:1:	3:3:1:1:	C[5a,6]-3:C[5a]-3:S[6]-4:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:N[6]-3:O-1:O-1:	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(S[6]N[6]OO)	C[5a](C[5a,6]C[5a,6]S[6])(C[5a]S[5a]H)(H)	S[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(O)2	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>}	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>}	S[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(O)2{1|H<1>,1|S<2>,3|C<3>}	130.1560	0.000	1	129.3279	0.481	8	129.0947	0.406	13	129.0947	0.406	13	129.0947	0.406	13	129.0947	0.406	13
727	727	961	6:SP2_SP2_SP3	C[5a,6]	C[5a,6]	S[6]	3:3:4:	3:2:3:	3:3:1:1:	C[5a,6]-3:C[5a]-3:S[6]-4:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[5a,6]-3:N[6]-3:O-1:O-1:	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)	S[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(O)2	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>}	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[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(O)2{1|H<1>,1|S<2>,3|C<3>}	116.7893	0.297	7	116.5239	0.193	13	116.5239	0.193	13	116.5239	0.193	13	119.5444	18.905	20	119.5444	18.905	20
727	727	961	6:SP2_SP2_SP3	C[5a,6]	C[5a,6]	S[6]	3:3:4:	3:2:3:	3:3:1:1:	C[5a,6]-3:C[5a]-3:S[6]-4:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[5a,6]-3:N[6]-3:O-1:O-1:	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)	S[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(O)2	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>}	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[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(O)2{1|H<1>,1|S<2>,3|C<3>}	116.2130	0.000	1	116.5239	0.193	13	116.5239	0.193	13	116.5239	0.193	13	119.5444	18.905	20	119.5444	18.905	20
727	727	961	6:SP2_SP2_SP3	C[5a,6]	C[5a,6]	S[6]	3:3:4:	3:2:3:	3:3:1:1:	C[5a,6]-3:C[5a]-3:S[6]-4:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[5a,6]-3:N[6]-3:O-1:O-1:	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)	S[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(O)2	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>}	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[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(O)2{1|H<1>,1|S<2>,3|C<3>}	115.9193	0.166	3	116.5239	0.193	13	116.5239	0.193	13	116.5239	0.193	13	119.5444	18.905	20	119.5444	18.905	20
727	727	961	6:SP2_SP2_SP3	C[5a,6]	C[5a,6]	S[6]	3:3:4:	3:2:3:	3:3:1:1:	C[5a,6]-3:C[5a]-3:S[6]-4:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[5a,6]-3:N[6]-3:O-1:O-1:	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)	S[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(O)2	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>}	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[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(O)2{1|H<1>,1|S<2>,3|C<3>}	116.6575	0.127	2	116.5239	0.193	13	116.5239	0.193	13	116.5239	0.193	13	119.5444	18.905	20	119.5444	18.905	20
727	727	961	6:SP2_SP2_SP3	C[5a,6]	C[5a,6]	S[6]	3:4:2:	3:3:4:	3:3:1:1:	C[5a,6]-3:S[6]-4:S[5a]-2:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:N[6]-3:O-1:O-1:	C[5a,6](C[5a,6]C[5a]C[6])(S[6]N[6]OO)(S[5a]C[5a])	C[5a,6](C[5a,6]S[5a]S[6])(C[5a]C[5a]H)(C[6]C[6]HN)	S[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(O)2	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>}	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>}	S[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(O)2{1|C<4>,2|C<3>,2|H<1>}	121.4550	0.000	1	121.4550	0.000	1	121.4550	0.000	1	121.4550	0.000	1	119.5444	18.905	20	119.5444	18.905	20
727	727	961	6:SP2_SP2_SP3	C[5a,6]	C[5a,6]	S[6]	3:4:2:	3:3:4:	3:4:1:1:	C[5a,6]-3:S[6]-4:S[5a]-2:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:C[6]-4:O-1:O-1:	C[5a,6](C[5a,6]C[5a]C[6])(S[6]C[6]OO)(S[5a]C[5a])	C[5a,6](C[5a,6]S[5a]S[6])(C[5a]C[5a]H)(C[6]C[6]HN)	S[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]CH)(O)2	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>}	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>}	S[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]CH)(O)2{1|C<4>,2|C<3>,2|H<1>}	125.7400	0.000	1	126.3410	0.722	2	126.3410	0.722	2	126.3410	0.722	2	119.5444	18.905	20	119.5444	18.905	20
727	727	961	6:SP2_SP2_SP3	C[5a,6]	C[5a,6]	S[6]	3:4:2:	3:3:4:	3:4:1:1:	C[5a,6]-3:S[6]-4:S[5a]-2:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:C[6]-4:O-1:O-1:	C[5a,6](C[5a,6]C[5a]C[6])(S[6]C[6]OO)(S[5a]C[5a])	C[5a,6](C[5a,6]S[5a]S[6])(C[5a]C[5a]H)(C[6]C[6]HN)	S[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]CH)(O)2	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>}	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>}	S[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]CH)(O)2{1|C<4>,2|C<3>,2|H<1>}	126.9420	0.000	1	126.3410	0.722	2	126.3410	0.722	2	126.3410	0.722	2	119.5444	18.905	20	119.5444	18.905	20
727	727	961	6:SP2_SP2_SP3	C[5a,6]	C[5a,6]	S[6]	3:4:2:	3:4:3:	3:3:1:1:	C[5a,6]-3:S[6]-4:S[5a]-2:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6]-3:N[5,6]-3:O-1:O-1:	C[5a,6](C[5a,6]C[5a]C[6])(S[6]N[5,6]OO)(S[5a]C[5a])	C[5a,6](C[5a,6]S[5a]S[6])(C[6]C[5,6]HH)(C[5a]C[5a]H)	S[6](C[5a,6]C[5a,6]S[5a])(N[5,6]C[5,6]C[5])(O)2	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>}	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>}	S[6](C[5a,6]C[5a,6]S[5a])(N[5,6]C[5,6]C[5])(O)2{2|C<3>,3|C<4>,3|H<1>}	125.4847	0.342	4	125.4847	0.117	4	125.4847	0.117	4	125.4847	0.117	4	119.5444	18.905	20	119.5444	18.905	20
727	727	974	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	As[5]	3:3:2:	3:3:3:	3:4:	C[5,6a,6a]-3:C[6a]-3:As[5]-2:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:P[5]-4:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(As[5]P[5])	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]As[5]C[6a])(C[5,6a]C[6a]P[5])	As[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]CC)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(As[5]P[5]){1|H<1>,2|C<4>,3|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]As[5]C[6a])(C[5,6a]C[6a]P[5]){2|C<3>,2|H<1>,4|C<4>}	As[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]CC){1|H<1>,3|C<3>}	116.6580	0.383	2	116.6580	0.147	2	116.6480	0.074	3	116.6480	0.074	3	116.6480	0.074	3	116.6480	0.074	3
727	727	974	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	As[5]	3:3:2:	3:3:3:	3:4:	C[5,6a,6a]-3:C[6a]-3:As[5]-2:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:P[5]-4:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(As[5]P[5])	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]As[5]C[6a])(C[5,6a]C[6a]P[5])	As[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(As[5]P[5]){1|H<1>,5|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]As[5]C[6a])(C[5,6a]C[6a]P[5]){2|C<4>,2|H<1>,4|C<3>}	As[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C[6a]2){1|H<1>,7|C<3>}	116.6280	0.000	1	116.6280	0.000	1	116.6480	0.074	3	116.6480	0.074	3	116.6480	0.074	3	116.6480	0.074	3
727	727	975	0:SP2_SP2_SP3	C[5a,6]	C[5a]	Se[6]	3:3:2:	3:3:4:	3:3:	C[5a,6]-3:C[5a]-3:Se[6]-2:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6]-3:C[6]-3:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(Se[6]C[6])	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a,6]Se[6])(CCHH)	Se[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(Se[6]C[6]){2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a,6]Se[6])(CCHH){5|C<3>}	Se[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	127.6750	0.000	1	127.6750	0.000	1	127.6750	0.000	1	127.6750	0.000	1	127.6750	0.000	1	127.6750	0.000	1
727	727	975	6:SP2_SP2_SP3	C[5a,6]	C[5a,6]	Se[6]	3:3:2:	3:3:3:	3:3:	C[5a,6]-3:C[5a]-3:Se[6]-2:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6]-3:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(Se[6]C[6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]Se[6])(C[6]C[6]H)	Se[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(Se[6]C[6]){2|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]Se[6])(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	Se[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	121.0630	0.000	1	121.0630	0.000	1	121.0630	0.000	1	121.0630	0.000	1	121.0630	0.000	1	121.0630	0.000	1
727	727	976	0:SP2_SP2_SP2	C[5,5a]	C[5a,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[5,5a]-3:O[5]-2:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5,5a]-3:C[5,5]-4:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]C[5])(O[5]C[5,5])	C[5a,6a](C[5,5a]C[5,5a]O[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	O[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5]2O[5])	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]C[5])(O[5]C[5,5]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[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>}	O[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5]2O[5]){1|O<1>,1|S<2>,3|C<3>,3|C<4>}	127.6790	0.000	1	127.6790	0.000	1	127.6790	0.000	1	127.6790	0.000	1	127.6790	0.000	1	127.5022	8.608	43
727	727	976	0:SP2_SP2_SP2	C[5,5a]	C[5a]	O[5]	3:3:2:	3:3:3:	3:3:	N[5,5a]-3:C[5a]-3:O[5]-2:	C[5,5a]-3:C[5a]-3:C-3:	C[5,5a]-3:C[5]-3:	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]C[5a]C)(O[5]C[5])	C[5a](C[5,5a]N[5,5a]O[5])(C[5a]N[5a]C)(CC[6a]O)	O[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]N)	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]C[5a]C)(O[5]C[5]){1|N<2>,3|C<3>}	C[5a](C[5,5a]N[5,5a]O[5])(C[5a]N[5a]C)(CC[6a]O){1|C<3>,1|C<4>}	O[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]N){1|N<2>,4|C<3>}	137.9890	0.000	1	137.9890	0.000	1	137.9890	0.000	1	137.9890	0.000	1	136.2630	5.958	2	127.5022	8.608	43
727	727	976	0:SP2_SP2_SP2	C[5,5a]	C[5a]	O[5]	3:3:2:	3:3:4:	3:3:	C[5,5a]-3:C[5a]-3:O[5]-2:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5,5a]-3:C[5]-3:	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(O[5]C[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]O[5])(CH3)	O[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]O)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(O[5]C[5]){1|O<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]O[5])(CH3){1|H<1>,4|C<3>}	O[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]O){1|C<4>,3|C<3>}	134.5370	0.000	1	134.5370	0.000	1	134.5370	0.000	1	134.5370	0.000	1	136.2630	5.958	2	127.5022	8.608	43
727	727	976	0:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])(O[5]C[5])	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])(O[5]C[5])	O[5](C[5,6a]C[5,6a]2)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])(O[5]C[5]){1|C<3>,3|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])(O[5]C[5]){1|C<3>,3|H<1>,4|C<4>}	O[5](C[5,6a]C[5,6a]2)(C[5]C[5]CC){1|O<2>,2|C<3>,2|H<1>}	125.8945	0.793	2	125.8945	0.628	2	125.8945	0.628	2	125.8945	0.628	2	127.1667	4.641	39	127.5022	8.608	43
727	727	976	0:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[5,6a]O[5])(C[5]C[6a]C[5])	O[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[5,6a]O[5])(C[5]C[6a]C[5]){1|C<4>,1|H<1>,1|N<3>,1|O<2>,5|C<3>}	O[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH){3|C<3>}	129.6820	0.000	1	129.6820	0.000	1	129.6820	0.000	1	128.0478	4.616	6	127.1667	4.641	39	127.5022	8.608	43
727	727	976	0:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:Ge[5]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]Ge[5])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])(Ge[5]Ge[5]N[5])	O[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[5,6a]Ge[5])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|Ge<3>,1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])(Ge[5]Ge[5]N[5]){1|H<1>,1|N<3>,1|O<2>,2|C<4>,3|C<3>}	O[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH){1|Ge<3>,2|C<3>}	126.0125	0.012	2	126.0125	0.000	2	126.7893	0.837	4	128.0478	4.616	6	127.1667	4.641	39	127.5022	8.608	43
727	727	976	0:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:Ge[5]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]Ge[5])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])(Ge[5]N[5]Cl)	O[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[5,6a]Ge[5])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|Cl<1>,1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])(Ge[5]N[5]Cl){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH){1|Ge<3>,2|C<3>}	127.5660	0.313	2	127.5660	0.098	2	126.7893	0.837	4	128.0478	4.616	6	127.1667	4.641	39	127.5022	8.608	43
727	727	976	0:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[5,6a](C[5,6a]C[5,5,3x6]C[6a])(C[5,6a]C[5,6a]O[5])(N[5]C[5,4x6]C)	O[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[6a]O[5])(O[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,5,3x6]C[6a])(C[5,6a]C[5,6a]O[5])(N[5]C[5,4x6]C){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	O[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH){1|N<3>,2|C<3>}	131.4480	0.000	1	131.4480	0.000	1	131.4480	0.000	1	128.0478	4.616	6	127.1667	4.641	39	127.5022	8.608	43
727	727	976	0:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	4:3:	C[5,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(O[5]C[5,6])	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	O[5](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(O[5]C[5,6]){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O[5](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[5,6a]2){3|C<3>,3|H<1>,5|C<4>}	125.7690	0.000	1	125.7690	0.000	1	125.7690	0.000	1	125.7690	0.000	1	127.1667	4.641	39	127.5022	8.608	43
727	727	976	0:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:3:	C[5,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(O[5]C[5])	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]O[5])(C[5]C[5]HH)	O[5](C[5,6a]C[5,6a]2)(C[5]C[5]O)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(O[5]C[5]){1|O<1>,2|C<3>,2|O<2>,4|H<1>}	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]O[5])(C[5]C[5]HH){1|O<1>,2|C<3>,2|C<4>}	O[5](C[5,6a]C[5,6a]2)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	124.4240	0.000	1	124.4240	0.000	1	124.7066	0.144	7	124.7066	0.144	7	127.1667	4.641	39	127.5022	8.608	43
727	727	976	0:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:3:	C[5,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[5])2(O[5]C[5])	C[5,6a](C[5,6a]C[5,6a]O[5])2(C[5]C[5]HH)	O[5](C[5,6a]C[5,6a]2)(C[5]C[5]O)	C[5,6a](C[5,6a]C[5,6a]C[5])2(O[5]C[5]){1|O<1>,2|C<3>,2|O<2>,4|H<1>}	C[5,6a](C[5,6a]C[5,6a]O[5])2(C[5]C[5]HH){1|O<1>,2|C<3>,2|C<4>}	O[5](C[5,6a]C[5,6a]2)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	124.7537	0.393	6	124.7537	0.155	6	124.7066	0.144	7	124.7066	0.144	7	127.1667	4.641	39	127.5022	8.608	43
727	727	976	0:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])(C[5]O[5]HO)	O[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])(C[5]O[5]HO){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH){1|C<4>,2|C<3>}	129.3025	0.366	4	129.3025	0.134	4	129.3025	0.134	4	129.3025	0.134	4	127.1667	4.641	39	127.5022	8.608	43
727	727	976	0:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	4:3:	C[5,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(O[5]C[5,6])	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])(C[5]N[5]HH)	O[5](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(O[5]C[5,6]){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])(C[5]N[5]HH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O[5](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[5,6a]2){2|C<3>,3|H<1>,6|C<4>}	124.9220	0.621	2	124.9220	0.385	2	124.7203	0.315	3	124.7203	0.315	3	127.1667	4.641	39	127.5022	8.608	43
727	727	976	0:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	4:3:	C[5,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(O[5]C[5,6])	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])(C[5]O[5]HH)	O[5](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(O[5]C[5,6]){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])(C[5]O[5]HH){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	O[5](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[5,6a]2){2|C<3>,3|H<1>,6|C<4>}	124.3170	0.000	1	124.3170	0.000	1	124.7203	0.315	3	124.7203	0.315	3	127.1667	4.641	39	127.5022	8.608	43
727	727	976	0:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[5,6]-4:C[5,6a]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])	O[5](C[5,6a]C[5,6a]2)(C[5]O[5]CC)	C[5,6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[6a]O[5])(O[5]C[5]){3|C<3>,5|C<4>}	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5]){1|Br<1>,1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O[5](C[5,6a]C[5,6a]2)(C[5]O[5]CC){1|C<4>,2|C<3>}	129.6180	3.196	4	129.6180	10.216	4	129.3573	6.303	6	129.3573	6.303	6	127.1667	4.641	39	127.5022	8.608	43
727	727	976	0:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[5,6]-4:C[5,6a]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])	O[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|C<3>,2|H<1>,5|C<4>}	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5]){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	O[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH){1|C<4>,2|C<3>}	129.0010	0.000	1	128.8360	0.054	2	129.3573	6.303	6	129.3573	6.303	6	127.1667	4.641	39	127.5022	8.608	43
727	727	976	0:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[5,6]-4:C[5,6a]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])	O[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[6a]O[5])(O[5]C[5]){2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5]){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	O[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH){1|C<4>,2|C<3>}	128.6710	0.000	1	128.8360	0.054	2	129.3573	6.303	6	129.3573	6.303	6	127.1667	4.641	39	127.5022	8.608	43
727	727	976	0:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	6:3:3:	3:4:	C[5,6a]-3:C[5,6a]-3:O[5]-2:	Nb[5,5]-6:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]Nb[5,5])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[5,6a](Nb[5,5]C[5,6a]N[5]2ClN)(C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])	O[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[5,6a]Nb[5,5])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|Cl<1>,1|N<2>,2|N<3>,3|C<3>,3|H<1>}	C[5,6a](Nb[5,5]C[5,6a]N[5]2ClN)(C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5]){1|H<1>,1|O<2>,2|C<4>,6|C<3>}	O[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH){1|Nb<6>,2|C<3>}	127.2322	0.153	4	127.3257	0.040	6	127.1640	0.119	8	127.1640	0.119	8	127.1667	4.641	39	127.5022	8.608	43
727	727	976	0:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	6:3:3:	3:4:	C[5,6a]-3:C[5,6a]-3:O[5]-2:	Nb[5,5]-6:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]Nb[5,5])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[5,6a](Nb[5,5]C[5,6a]N[5]2ClN)(C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])	O[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[5,6a]Nb[5,5])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|Cl<1>,1|N<2>,2|N<3>,3|C<3>,3|H<1>}	C[5,6a](Nb[5,5]C[5,6a]N[5]2ClN)(C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5]){1|H<1>,1|O<2>,4|C<3>,4|C<4>}	O[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH){1|Nb<6>,2|C<3>}	127.5125	0.166	2	127.3257	0.040	6	127.1640	0.119	8	127.1640	0.119	8	127.1667	4.641	39	127.5022	8.608	43
727	727	976	0:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	6:3:3:	3:4:	C[5,6a]-3:C[5,6a]-3:O[5]-2:	Nb[5,5]-6:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]Nb[5,5])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[5,6a](Nb[5,5]C[5,6a]N[5]2NO)(C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])	O[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[5,6a]Nb[5,5])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|N<2>,1|O<2>,2|N<3>,3|C<3>,3|H<1>}	C[5,6a](Nb[5,5]C[5,6a]N[5]2NO)(C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5]){1|H<1>,1|O<2>,2|C<4>,6|C<3>}	O[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH){1|Nb<6>,2|C<3>}	126.6790	0.008	2	126.6790	0.000	2	127.1640	0.119	8	127.1640	0.119	8	127.1667	4.641	39	127.5022	8.608	43
727	727	976	0:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	7:3:3:	3:4:	C[5,6a]-3:C[5,6a]-3:O[5]-2:	Nb[3,5,5]-7:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]Nb[3,5,5]C[5,6a])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[5,6a](Nb[3,5,5]C[5,6a]C[3]H[3]N[5]2N)(C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])	O[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH)	C[5,6a](C[5,6a]Nb[3,5,5]C[5,6a])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|C<4>,1|H<2>,1|N<2>,2|N<3>,3|C<3>,3|H<1>}	C[5,6a](Nb[3,5,5]C[5,6a]C[3]H[3]N[5]2N)(C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5]){1|Si<4>,1|O<2>,2|C<4>,2|H<1>,6|C<3>}	O[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH){1|Nb<7>,2|C<3>}	127.9425	0.004	2	127.9425	0.000	2	127.9425	0.000	2	127.9425	0.000	2	127.1667	4.641	39	127.5022	8.608	43
727	727	976	0:SP2_SP2_SP2	C[5,6a]	C[5a,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[6a]C[5])(O[5]C[5])	C[5a,6a](C[5,6a]C[5,6a]O[5])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	O[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]HN)	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[6a]C[5])(O[5]C[5]){2|N<3>,3|C<3>,4|H<1>}	C[5a,6a](C[5,6a]C[5,6a]O[5])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){1|C<3>,2|C<4>,3|H<1>}	O[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]HN){1|H<1>,4|C<3>}	122.8880	0.000	1	122.8880	0.000	1	122.8880	0.000	1	122.8880	0.000	1	122.8880	0.000	1	127.5022	8.608	43
727	727	976	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	O[5]	3:3:2:	3:2:3:	3:4:	C[5a,6a]-3:C[5,5a]-3:O[5]-2:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5,5a]-3:C[5,5]-4:	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)	O[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5]2O[5])	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]C[5])(O[5]C[5,5]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,5a](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>}	O[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5]2O[5]){1|O<1>,1|S<2>,3|C<3>,3|C<4>}	116.0400	0.000	1	116.0400	0.000	1	116.0400	0.000	1	116.0400	0.000	1	115.0300	14.153	3	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,5a]-3:C[5a]-3:O[5]-2:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:C[5]-3:	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(O[5]C[5])	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]O[5])(C[5]C[6a]C[5])	O[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]O)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(O[5]C[5]){1|O<1>,3|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]O[5])(C[5]C[6a]C[5]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	O[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]O){1|C<4>,3|C<3>}	110.8660	0.000	1	110.8660	0.000	1	110.8660	0.000	1	110.8660	0.000	1	115.0300	14.153	3	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	O[5]	3:3:2:	3:4:3:	3:4:	C[5,5a]-3:N[5a]-3:O[5]-2:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5,5a]-3:C[5,5]-4:	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[6a]N[5a])(O[5]C[5,5])	C[5,5a](C[5,5a]N[5a]O[5])(C[5]C[5,5]CC)(C[5a]N[5a]C)	O[5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5,6a]C[5]2)	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[6a]N[5a])(O[5]C[5,5]){2|C<4>,5|C<3>}	C[5,5a](C[5,5a]N[5a]O[5])(C[5]C[5,5]CC)(C[5a]N[5a]C){3|C<3>}	O[5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5,6a]C[5]2){1|C<4>,1|N<2>,1|N<3>,1|O<1>,5|C<3>}	118.1840	0.000	1	118.1840	0.000	1	118.1840	0.000	1	118.1840	0.000	1	115.0300	14.153	3	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6,6a]	O[5]	3:2:3:	3:3:3:	6:3:	C[5,6,6a]-3:O[5]-2:C[6a]-3:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	Si[4,5,5]-6:C[5,6a]-3:	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(O[5]Si[4,5,5])(C[6a]C[6a]H)	C[5,6,6a](N[5,6]Si[4,5,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	O[5](Si[4,5,5]N[5,6]N[4]2O[5]2)(C[5,6a]C[5,6,6a]C[6a])	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(O[5]Si[4,5,5])(C[6a]C[6a]H){1|H<1>,2|N<3>,2|O<2>,3|C<3>}	C[5,6,6a](N[5,6]Si[4,5,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){2|C<3>,2|N<3>,2|O<2>,4|H<1>}	O[5](Si[4,5,5]N[5,6]N[4]2O[5]2)(C[5,6a]C[5,6,6a]C[6a]){1|H<1>,2|C<4>,6|C<3>}	115.3130	0.000	1	115.3130	0.000	1	115.3130	0.000	1	115.3130	0.000	1	113.9482	7.925	94	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6,6a]	O[5]	3:2:3:	4:3:3:	4:3:	C[5,6,6a]-3:O[5]-2:C[6a]-3:	C[5,4x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6,6]-4:C[5,6a]-3:	C[5,6a](C[5,6,6a]C[5,4x6]C[6,6a])(O[5]C[5,6,6])(C[6a]C[6a]O)	C[5,6,6a](C[5,4x6]C[4,4x6]C[5,6,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	O[5](C[5,6,6]C[5,4x6]C[6,6]H)(C[5,6a]C[5,6,6a]C[6a])	C[5,6a](C[5,6,6a]C[5,4x6]C[6,6a])(O[5]C[5,6,6])(C[6a]C[6a]O){1|C<3>,2|H<1>,4|C<4>}	C[5,6,6a](C[5,4x6]C[4,4x6]C[5,6,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|C<3>,2|O<2>,4|C<4>,6|H<1>}	O[5](C[5,6,6]C[5,4x6]C[6,6]H)(C[5,6a]C[5,6,6a]C[6a]){2|C<3>,3|C<4>,3|O<2>}	113.4030	0.000	1	113.4030	0.000	1	113.1973	0.142	13	113.1317	0.153	15	113.9482	7.925	94	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6,6a]	O[5]	3:2:3:	4:3:3:	4:3:	C[5,6,6a]-3:O[5]-2:C[6a]-3:	C[5,4x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6,6]-4:C[5,6a]-3:	C[5,6a](C[5,6,6a]C[5,4x6]C[6,6a])(O[5]C[5,6,6])(C[6a]C[6a]O)	C[5,6,6a](C[5,4x6]C[5,6,6]C[5x6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	O[5](C[5,6,6]C[5,3x6]C[5,4x6]H)(C[5,6a]C[5,6,6a]C[6a])	C[5,6a](C[5,6,6a]C[5,4x6]C[6,6a])(O[5]C[5,6,6])(C[6a]C[6a]O){1|C<3>,2|H<1>,4|C<4>}	C[5,6,6a](C[5,4x6]C[5,6,6]C[5x6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	O[5](C[5,6,6]C[5,3x6]C[5,4x6]H)(C[5,6a]C[5,6,6a]C[6a]){2|C<3>,2|O<2>,4|C<4>}	113.1810	0.000	1	113.1810	0.000	1	113.1973	0.142	13	113.1317	0.153	15	113.9482	7.925	94	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6,6a]	O[5]	3:2:3:	4:3:3:	4:3:	C[5,6,6a]-3:O[5]-2:C[6a]-3:	C[5,4x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6,6]-4:C[5,6a]-3:	C[5,6a](C[5,6,6a]C[5,4x6]C[6,6a])(O[5]C[5,6,6])(C[6a]C[6a]O)	C[5,6,6a](C[5,4x6]C[5,6,6]C[5x6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	O[5](C[5,6,6]C[5,4x6]C[3x6]C)(C[5,6a]C[5,6,6a]C[6a])	C[5,6a](C[5,6,6a]C[5,4x6]C[6,6a])(O[5]C[5,6,6])(C[6a]C[6a]O){1|C<3>,1|H<1>,5|C<4>}	C[5,6,6a](C[5,4x6]C[5,6,6]C[5x6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	O[5](C[5,6,6]C[5,4x6]C[3x6]C)(C[5,6a]C[5,6,6a]C[6a]){2|O<2>,3|C<3>,3|C<4>}	113.6240	0.000	1	113.6240	0.000	1	113.1973	0.142	13	113.1317	0.153	15	113.9482	7.925	94	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6,6a]	O[5]	3:2:3:	4:3:3:	4:3:	C[5,6,6a]-3:O[5]-2:C[6a]-3:	C[5,4x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6,6]-4:C[5,6a]-3:	C[5,6a](C[5,6,6a]C[5,4x6]C[6,6a])(O[5]C[5,6,6])(C[6a]C[6a]O)	C[5,6,6a](C[5,4x6]C[5,6,6]C[5x6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	O[5](C[5,6,6]C[5,4x6]C[3x6]H)(C[5,6a]C[5,6,6a]C[6a])	C[5,6a](C[5,6,6a]C[5,4x6]C[6,6a])(O[5]C[5,6,6])(C[6a]C[6a]O){1|C<3>,2|H<1>,4|C<4>}	C[5,6,6a](C[5,4x6]C[5,6,6]C[5x6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	O[5](C[5,6,6]C[5,4x6]C[3x6]H)(C[5,6a]C[5,6,6a]C[6a]){2|C<3>,2|O<2>,4|C<4>}	113.2834	0.432	5	113.1357	0.160	10	113.1973	0.142	13	113.1317	0.153	15	113.9482	7.925	94	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6,6a]	O[5]	3:2:3:	4:3:3:	4:3:	C[5,6,6a]-3:O[5]-2:C[6a]-3:	C[5,4x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6,6]-4:C[5,6a]-3:	C[5,6a](C[5,6,6a]C[5,4x6]C[6,6a])(O[5]C[5,6,6])(C[6a]C[6a]O)	C[5,6,6a](C[5,4x6]C[5,6,6]C[5x6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	O[5](C[5,6,6]C[5,4x6]C[3x6]H)(C[5,6a]C[5,6,6a]C[6a])	C[5,6a](C[5,6,6a]C[5,4x6]C[6,6a])(O[5]C[5,6,6])(C[6a]C[6a]O){1|C<3>,2|H<1>,4|C<4>}	C[5,6,6a](C[5,4x6]C[5,6,6]C[5x6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	O[5](C[5,6,6]C[5,4x6]C[3x6]H)(C[5,6a]C[5,6,6a]C[6a]){2|O<2>,3|C<3>,3|C<4>}	112.9880	0.344	5	113.1357	0.160	10	113.1973	0.142	13	113.1317	0.153	15	113.9482	7.925	94	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6,6a]	O[5]	3:2:3:	4:3:3:	4:3:	C[5,6,6a]-3:O[5]-2:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,5,6]-4:C[5,6a]-3:	C[5,6a](C[5,6,6a]C[5,5,6]C[6,6a])(O[5]C[5,5,6])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	O[5](C[5,5,6]C[5,6,6a]C[5,5,6]C[6])(C[5,6a]C[5,6,6a]C[6a])	C[5,6a](C[5,6,6a]C[5,5,6]C[6,6a])(O[5]C[5,5,6])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	C[5,6,6a](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|O<1>,3|H<1>,5|C<3>}	O[5](C[5,5,6]C[5,6,6a]C[5,5,6]C[6])(C[5,6a]C[5,6,6a]C[6a]){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	112.7050	0.122	2	112.7050	0.015	2	112.7050	0.015	2	113.1317	0.153	15	113.9482	7.925	94	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]2)(O[5]C[5])	C[5,6,6a](C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6])	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HO)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[5,6,6a](C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HO){4|C<3>}	109.7570	0.000	1	109.7570	0.000	1	109.7570	0.000	1	111.1635	3.956	2	113.9482	7.925	94	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6a]-3:Si[5]-4:	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Si[5])	C[5,6,6a](C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6])	O[5](C[5,6a]C[5,6,6a]C[6a])(Si[5]N[5,6]CO)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Si[5]){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6]){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	O[5](C[5,6a]C[5,6,6a]C[6a])(Si[5]N[5,6]CO){1|C<4>,1|H<1>,2|C<3>}	112.5700	0.000	1	112.5700	0.000	1	112.5700	0.000	1	111.1635	3.956	2	113.9482	7.925	94	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6,6a]	O[5]	3:3:2:	3:3:3:	3:5:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6a]-3:Ga[5,5]-5:	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]Cl)(O[5]Ga[5,5])	C[5,6,6a](N[5,6]Ga[5,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	O[5](C[5,6a]C[5,6,6a]C[6a])(Ga[5,5]N[5,6]2O[5]Cl)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]Cl)(O[5]Ga[5,5]){1|Cl<1>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6,6a](N[5,6]Ga[5,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){3|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	O[5](C[5,6a]C[5,6,6a]C[6a])(Ga[5,5]N[5,6]2O[5]Cl){1|Cl<1>,6|C<3>}	118.9860	0.000	1	118.9860	0.000	1	118.2404	0.182	8	118.2404	0.182	8	113.9482	7.925	94	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6,6a]	O[5]	3:3:2:	3:3:3:	3:5:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6a]-3:Ga[5,5]-5:	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Ga[5,5])	C[5,6,6a](N[5,6]Ga[5,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	O[5](C[5,6a]C[5,6,6a]C[6a])(Ga[5,5]N[5,6]2O[5]O)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Ga[5,5]){1|H<1>,1|N<3>,2|O<2>,3|C<3>}	C[5,6,6a](N[5,6]Ga[5,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|C<4>,1|N<3>,2|C<3>,2|O<2>,3|H<1>}	O[5](C[5,6a]C[5,6,6a]C[6a])(Ga[5,5]N[5,6]2O[5]O){1|H<1>,6|C<3>}	118.0695	0.305	6	118.0695	0.093	6	118.2404	0.182	8	118.2404	0.182	8	113.9482	7.925	94	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6,6a]	O[5]	3:3:2:	3:3:3:	3:5:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6a]-3:Ga[5,5]-5:	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Ga[5,5])	C[5,6,6a](N[5,6]Ga[5,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	O[5](C[5,6a]C[5,6,6a]C[6a])(Ga[5,5]N[5,6]3O)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Ga[5,5]){1|H<1>,1|O<2>,2|N<3>,3|C<3>}	C[5,6,6a](N[5,6]Ga[5,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|C<4>,1|O<2>,2|C<3>,2|N<3>,3|H<1>}	O[5](C[5,6a]C[5,6,6a]C[6a])(Ga[5,5]N[5,6]3O){1|H<1>,7|C<3>}	118.5200	0.000	1	118.5200	0.000	1	118.2404	0.182	8	118.2404	0.182	8	113.9482	7.925	94	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6,6a]	O[5]	3:3:2:	3:3:3:	3:6:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6a]-3:Ga[3x5]-6:	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Ga[3x5])	C[5,6,6a](N[5,6]Ga[3x5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	O[5](C[5,6a]C[5,6,6a]C[6a])(Ga[3x5]N[5,6]3O[5]2)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Ga[3x5]){1|H<1>,2|N<3>,2|O<2>,3|C<3>}	C[5,6,6a](N[5,6]Ga[3x5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){2|C<3>,2|N<3>,2|O<2>,4|H<1>}	O[5](C[5,6a]C[5,6,6a]C[6a])(Ga[3x5]N[5,6]3O[5]2){1|H<1>,9|C<3>}	118.4717	0.754	3	118.4717	0.569	3	118.4717	0.569	3	118.6418	4.926	12	113.9482	7.925	94	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6,6a]	O[5]	3:3:2:	3:3:3:	3:6:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6a]-3:In[3x5]-6:	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]In[3x5])	C[5,6,6a](N[5,6]In[3x5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	O[5](C[5,6a]C[5,6,6a]C[6a])(In[3x5]N[5,6]3O[5]2)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]In[3x5]){1|H<1>,2|N<3>,2|O<2>,3|C<3>}	C[5,6,6a](N[5,6]In[3x5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){2|C<3>,2|N<3>,2|O<2>,4|H<1>}	O[5](C[5,6a]C[5,6,6a]C[6a])(In[3x5]N[5,6]3O[5]2){1|H<1>,9|C<3>}	120.3858	0.560	6	120.3858	0.314	6	120.3858	0.314	6	118.6418	4.926	12	113.9482	7.925	94	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6,6a]	O[5]	3:3:2:	3:3:3:	3:6:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6a]-3:Si[4,5]-6:	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Si[4,5])	C[5,6,6a](N[5,6]Si[4,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	O[5](C[5,6a]C[5,6,6a]C[6a])(Si[4,5]N[5,6]N[4]2NN)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Si[4,5]){1|H<1>,2|N<2>,2|N<3>,3|C<3>}	C[5,6,6a](N[5,6]Si[4,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){2|C<3>,2|N<2>,2|N<3>,4|H<1>}	O[5](C[5,6a]C[5,6,6a]C[6a])(Si[4,5]N[5,6]N[4]2NN){1|H<1>,2|C<4>,4|C<3>}	115.3237	0.231	3	115.3237	0.053	3	115.3237	0.053	3	118.6418	4.926	12	113.9482	7.925	94	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6,6a]	O[5]	3:3:2:	3:3:3:	3:7:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6a]-3:Nb[3x5]-7:	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Nb[3x5])	C[5,6,6a](N[5,6]Nb[3x5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	O[5](C[5,6a]C[5,6,6a]C[6a])(Nb[3x5]N[5,6]3O[5]2O)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Nb[3x5]){1|H<1>,1|O<1>,2|N<3>,2|O<2>,3|C<3>}	C[5,6,6a](N[5,6]Nb[3x5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|O<1>,2|C<3>,2|N<3>,2|O<2>,4|H<1>}	O[5](C[5,6a]C[5,6,6a]C[6a])(Nb[3x5]N[5,6]3O[5]2O){1|H<1>,9|C<3>}	117.1320	1.014	2	117.1320	1.028	2	117.1320	1.028	2	117.1320	1.028	2	113.9482	7.925	94	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6,6a]	O[5]	3:3:2:	3:3:3:	4:3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6,6]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6]-4:C[5,6a]-3:	C[5,6a](C[5,6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6])	C[5,6,6a](C[5,6,6]C[5,6]C[6,6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	O[5](C[5,6]C[5,6,6]C[5,6]H)(C[5,6a]C[5,6,6a]C[6a])	C[5,6a](C[5,6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6]){2|C<3>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,6,6]C[5,6]C[6,6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	O[5](C[5,6]C[5,6,6]C[5,6]H)(C[5,6a]C[5,6,6a]C[6a]){1|C<4>,3|C<3>,3|O<2>}	112.9950	0.353	4	112.9950	0.125	4	112.9950	0.125	4	112.9950	0.125	4	113.9482	7.925	94	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6,6a]	O[5]	3:3:2:	3:3:3:	6:3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	Ge[3x5]-6:C[5,6a]-3:	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Ge[3x5])	C[5,6,6a](N[5,6]Ge[3x5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	O[5](Ge[3x5]N[5,6]2C[5]O[5]2)(C[5,6a]C[5,6,6a]C[6a])	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Ge[3x5]){1|C<4>,1|H<1>,1|N<3>,2|O<2>,3|C<3>}	C[5,6,6a](N[5,6]Ge[3x5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|C<4>,1|N<3>,2|C<3>,2|O<2>,4|H<1>}	O[5](Ge[3x5]N[5,6]2C[5]O[5]2)(C[5,6a]C[5,6,6a]C[6a]){2|C<4>,2|H<1>,7|C<3>}	117.0725	0.855	2	117.0725	0.731	2	117.0725	0.731	2	116.2255	1.200	4	113.9482	7.925	94	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6,6a]	O[5]	3:3:2:	3:3:3:	6:3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	Si[4,5]-6:C[5,6a]-3:	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Si[4,5])	C[5,6,6a](N[5,6]Si[4,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	O[5](Si[4,5]N[5,6]N[4]2Br2)(C[5,6a]C[5,6,6a]C[6a])	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Si[4,5]){2|Br<1>,1|H<1>,2|N<3>,3|C<3>}	C[5,6,6a](N[5,6]Si[4,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){2|Br<1>,2|C<3>,2|N<3>,4|H<1>}	O[5](Si[4,5]N[5,6]N[4]2Br2)(C[5,6a]C[5,6,6a]C[6a]){1|H<1>,2|C<4>,4|C<3>}	115.4000	0.000	1	115.4000	0.000	1	115.3785	0.001	2	116.2255	1.200	4	113.9482	7.925	94	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6,6a]	O[5]	3:3:2:	3:3:3:	6:3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	Si[4,5]-6:C[5,6a]-3:	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Si[4,5])	C[5,6,6a](N[5,6]Si[4,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	O[5](Si[4,5]N[5,6]N[4]2Cl2)(C[5,6a]C[5,6,6a]C[6a])	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Si[4,5]){2|Cl<1>,1|H<1>,2|N<3>,3|C<3>}	C[5,6,6a](N[5,6]Si[4,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){2|Cl<1>,2|C<3>,2|N<3>,4|H<1>}	O[5](Si[4,5]N[5,6]N[4]2Cl2)(C[5,6a]C[5,6,6a]C[6a]){1|H<1>,2|C<4>,4|C<3>}	115.3570	0.000	1	115.3570	0.000	1	115.3785	0.001	2	116.2255	1.200	4	113.9482	7.925	94	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(O[5]C[5])	C[5,6,6a](C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]N[6]C)	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5,6,6a](C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]N[6]C){1|C<4>,2|C<3>,6|H<1>}	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	111.3453	0.191	3	111.3810	0.021	5	111.3810	0.021	5	111.3810	0.021	5	113.9482	7.925	94	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(O[5]C[5])	C[5,6,6a](C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]N[6]C)	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5,6,6a](C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]N[6]C){1|Cl<1>,1|O<2>,2|C<3>,5|H<1>}	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	111.4630	0.000	1	111.3810	0.021	5	111.3810	0.021	5	111.3810	0.021	5	113.9482	7.925	94	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(O[5]C[5])	C[5,6,6a](C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]N[6]C)	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5,6,6a](C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]N[6]C){1|O<2>,2|C<3>,6|H<1>}	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	111.4060	0.000	1	111.3810	0.021	5	111.3810	0.021	5	111.3810	0.021	5	113.9482	7.925	94	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6,6a]	O[5]	3:3:2:	4:3:3:	3:3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5])	C[5,6,6a](C[5,5,6]C[5,6]C[5]2)(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,5,6]O)	C[5,6a](C[5,6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5]){1|O<1>,2|C<3>,3|C<4>}	C[5,6,6a](C[5,5,6]C[5,6]C[5]2)(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,5,6]O){1|O<2>,2|C<3>,2|C<4>}	110.7655	0.112	2	110.7655	0.013	2	110.7655	0.013	2	110.7655	0.013	2	113.9482	7.925	94	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6,6a]	O[5]	3:3:2:	4:3:3:	3:4:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6a]-3:C[5,6]-4:	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,3x6]C[6]H)	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,2|H<1>,4|C<4>}	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|C<3>,4|C<4>,8|H<1>}	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,3x6]C[6]H){2|C<3>,2|H<1>,4|C<4>}	111.9300	0.000	1	111.9300	0.000	1	112.3772	0.481	31	112.2627	0.561	35	113.9482	7.925	94	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6,6a]	O[5]	3:3:2:	4:3:3:	3:4:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6a]-3:C[5,6]-4:	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]N)(O[5]C[5,6])	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,3x6]C[6]H)	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]N)(O[5]C[5,6]){1|C<3>,2|H<1>,4|C<4>}	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|C<3>,1|N<3>,4|C<4>,7|H<1>}	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,3x6]C[6]H){1|H<1>,2|C<3>,2|N<3>,3|C<4>}	112.4230	0.000	1	112.2190	0.083	2	112.3772	0.481	31	112.2627	0.561	35	113.9482	7.925	94	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6,6a]	O[5]	3:3:2:	4:3:3:	3:4:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6a]-3:C[5,6]-4:	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]N)(O[5]C[5,6])	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,3x6]C[6]H)	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]N)(O[5]C[5,6]){2|C<3>,2|H<1>,3|C<4>}	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|Cl<1>,1|N<3>,2|C<3>,3|C<4>,6|H<1>}	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,3x6]C[6]H){1|N<3>,1|O<1>,2|C<3>,3|C<4>}	112.0150	0.000	1	112.2190	0.083	2	112.3772	0.481	31	112.2627	0.561	35	113.9482	7.925	94	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6,6a]	O[5]	3:3:2:	4:3:3:	3:4:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6a]-3:C[5,6]-4:	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6])	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,3x6]C[6]H)	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6]){1|C<3>,2|H<1>,4|C<4>}	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|C<3>,2|O<2>,4|C<4>,6|H<1>}	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,3x6]C[6]H){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	113.2060	0.000	1	112.4044	0.522	28	112.3772	0.481	31	112.2627	0.561	35	113.9482	7.925	94	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6,6a]	O[5]	3:3:2:	4:3:3:	3:4:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6a]-3:C[5,6]-4:	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6])	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,3x6]C[6]H)	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6]){1|C<3>,2|H<1>,4|C<4>}	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,3x6]C[6]H){1|H<1>,2|C<4>,2|O<2>,3|C<3>}	112.6309	0.670	17	112.4044	0.522	28	112.3772	0.481	31	112.2627	0.561	35	113.9482	7.925	94	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6,6a]	O[5]	3:3:2:	4:3:3:	3:4:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6a]-3:C[5,6]-4:	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6])	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,3x6]C[6]H)	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6]){2|C<3>,2|H<1>,3|C<4>}	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,3x6]C[6]H){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	111.4265	0.087	2	112.4044	0.522	28	112.3772	0.481	31	112.2627	0.561	35	113.9482	7.925	94	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6,6a]	O[5]	3:3:2:	4:3:3:	3:4:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6a]-3:C[5,6]-4:	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6])	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,3x6]C[6]H)	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6]){2|C<3>,2|H<1>,3|C<4>}	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,3x6]C[6]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	111.5480	0.000	1	112.4044	0.522	28	112.3772	0.481	31	112.2627	0.561	35	113.9482	7.925	94	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6,6a]	O[5]	3:3:2:	4:3:3:	3:4:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6a]-3:C[5,6]-4:	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6])	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,3x6]C[6]H)	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6]){2|C<3>,2|H<1>,3|C<4>}	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){2|C<3>,2|O<2>,3|C<4>,6|H<1>}	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,3x6]C[6]H){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	112.0008	0.532	6	112.4044	0.522	28	112.3772	0.481	31	112.2627	0.561	35	113.9482	7.925	94	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6,6a]	O[5]	3:3:2:	4:3:3:	3:4:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6a]-3:C[5,6]-4:	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6])	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,3x6]C[6]H)	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6]){2|C<4>,2|H<1>,3|C<3>}	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,3x6]C[6]H){1|C<4>,2|O<2>,4|C<3>}	112.9870	0.000	1	112.4044	0.522	28	112.3772	0.481	31	112.2627	0.561	35	113.9482	7.925	94	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6,6a]	O[5]	3:3:2:	4:3:3:	3:4:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6a]-3:C[5,6]-4:	C[5,6a](C[5,6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]C)(O[5]C[5,6])	C[5,6,6a](C[5,6,6]C[5,6]C[6,6]H)(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]O[6])	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6]H)	C[5,6a](C[5,6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]C)(O[5]C[5,6]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,6,6]C[5,6]C[6,6]H)(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]O[6]){2|C<3>,3|C<4>,3|H<1>}	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6]H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	110.7660	0.000	1	110.7660	0.000	1	110.8590	0.017	2	112.2627	0.561	35	113.9482	7.925	94	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6,6a]	O[5]	3:3:2:	4:3:3:	3:4:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6a]-3:C[5,6]-4:	C[5,6a](C[5,6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6,6a](C[5,6,6]C[5,6]C[6]N[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6]H)	C[5,6a](C[5,6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5,6,6a](C[5,6,6]C[5,6]C[6]N[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	110.9520	0.000	1	110.9520	0.000	1	110.8590	0.017	2	112.2627	0.561	35	113.9482	7.925	94	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6,6a]	O[5]	3:3:2:	4:3:3:	3:4:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(O[5]C[5])	C[5,6,6a](C[5,6]C[6,6a]C[5]O)(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]C[6a]H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(O[5]C[5]){1|O<2>,2|H<1>,4|C<3>}	C[5,6,6a](C[5,6]C[6,6a]C[5]O)(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|O<1>,3|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	111.8920	0.027	2	111.8920	0.001	2	111.8920	0.001	2	112.2627	0.561	35	113.9482	7.925	94	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6,6a]	O[5]	3:3:2:	4:3:3:	4:3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6]-4:C[5,6a]-3:	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6])	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	O[5](C[5,6]C[5,3x6]C[5,6]H)(C[5,6a]C[5,6,6a]C[6a])	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6]){1|C<3>,2|H<1>,4|C<4>}	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|C<3>,2|O<2>,4|C<4>,6|H<1>}	O[5](C[5,6]C[5,3x6]C[5,6]H)(C[5,6a]C[5,6,6a]C[6a]){2|C<3>,2|O<2>,4|C<4>}	111.9170	0.085	3	111.9170	0.007	3	111.9170	0.007	3	112.0295	0.055	4	113.9482	7.925	94	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6,6a]	O[5]	3:3:2:	4:3:3:	4:3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,5,6,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6]-4:C[5,6a]-3:	C[5,6a](C[5,6,6a]C[5,5,6,6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6])	C[5,6,6a](C[5,5,6,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	O[5](C[5,6]C[5,5,6,6]C[5,6]H)(C[5,6a]C[5,6,6a]C[6a])	C[5,6a](C[5,6,6a]C[5,5,6,6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6]){1|C<3>,2|H<1>,4|C<4>}	C[5,6,6a](C[5,5,6,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	O[5](C[5,6]C[5,5,6,6]C[5,6]H)(C[5,6a]C[5,6,6a]C[6a]){2|C<3>,3|C<4>,3|O<2>}	112.3670	0.000	1	112.3670	0.000	1	112.3670	0.000	1	112.0295	0.055	4	113.9482	7.925	94	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a,6a]C[6a]2)	O[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(O[5]C[5]){1|H<1>,1|O<1>,3|C<3>}	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a,6a]C[6a]2){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O){1|H<1>,3|C<3>}	109.7530	0.000	1	109.7530	0.000	1	109.1895	0.635	2	109.1895	0.635	2	110.1808	0.566	8	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(O[5]C[5])	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a,6a]C[6a]2)	O[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(O[5]C[5]){1|H<1>,1|O<1>,3|C<3>}	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a,6a]C[6a]2){1|O<1>,2|C<3>,2|H<1>,2|O<2>}	O[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O){1|O<2>,3|C<3>}	108.6260	0.000	1	108.6260	0.000	1	109.1895	0.635	2	109.1895	0.635	2	110.1808	0.566	8	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]O[5])(C[6a,6a]C[6a]2)	O[5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]2N[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,1|N<3>,4|C<3>}	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]O[5])(C[6a,6a]C[6a]2){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]2N[5]){2|H<1>,6|C<3>}	110.2135	0.518	2	110.2135	0.269	2	110.2135	0.269	2	110.5112	0.141	6	110.1808	0.566	8	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a,6a]C[6a]2)	O[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(O[5]C[5]){2|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a,6a]C[6a]2){3|C<3>,5|H<1>}	O[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6]H){1|H<1>,5|C<3>}	110.8190	0.178	2	110.8190	0.032	2	110.6600	0.057	4	110.5112	0.141	6	110.1808	0.566	8	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a,6a]C[6a]2)	O[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a,6a]C[6a]2){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH){1|H<1>,3|C<3>}	110.5010	0.194	2	110.5010	0.038	2	110.6600	0.057	4	110.5112	0.141	6	110.1808	0.566	8	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:2:2:	3:3:4:	3:4:	C[5,6a]-3:N[6a]-2:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[4,5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(O[5]C[4,5])	C[5,6a](C[5,6a]N[6a]O[5])(C[6a]C[6a]N[5a])(C[5]C[4,5]HH)	O[5](C[5,6a]C[5,6a]N[6a])(C[4,5]C[4]2C[5])	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(O[5]C[4,5]){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]N[6a]O[5])(C[6a]C[6a]N[5a])(C[5]C[4,5]HH){1|H<1>,2|C<4>,3|C<3>}	O[5](C[5,6a]C[5,6a]N[6a])(C[4,5]C[4]2C[5]){1|C<4>,2|C<3>,6|H<1>}	112.7900	0.061	2	112.7900	0.004	2	112.7900	0.004	2	113.1704	0.453	8	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:2:2:	3:3:4:	3:4:	C[5,6a]-3:N[6a]-2:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(O[5]C[5])	C[5,6a](C[5,6a]N[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)	O[5](C[5,6a]C[5,6a]N[6a])(C[5]C[6a]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(O[5]C[5]){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]N[6a])(C[5]C[6a]C[5]H){2|H<1>,4|C<3>}	113.2520	0.000	1	113.2520	0.000	1	113.2835	0.002	2	113.1704	0.453	8	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:2:2:	3:3:4:	3:4:	C[5,6a]-3:N[6a]-2:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(O[5]C[5])	C[5,6a](C[5,6a]N[6a]O[5])(C[6a]C[6a]N[5a])(C[5]C[5]HH)	O[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(O[5]C[5]){1|C<3>,1|N<3>,5|H<1>}	C[5,6a](C[5,6a]N[6a]O[5])(C[6a]C[6a]N[5a])(C[5]C[5]HH){1|F<1>,2|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH){2|C<3>,2|H<1>}	113.3150	0.000	1	113.3150	0.000	1	113.2835	0.002	2	113.1704	0.453	8	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:2:2:	3:3:4:	3:4:	C[5,6a]-3:N[6a]-2:O[5]-2:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5])(N[6a]C[6a])(O[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[6a]O[5])(C[5]C[5]HH)	O[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a,6a]C[5])(N[6a]C[6a])(O[5]C[5]){1|N<3>,2|C<3>,4|H<1>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[6a]O[5])(C[5]C[5]HH){3|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH){2|C<3>,2|H<1>}	114.0170	0.000	1	114.0170	0.000	1	114.1310	0.026	2	113.1704	0.453	8	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:2:2:	3:3:4:	3:4:	C[5,6a]-3:N[6a]-2:O[5]-2:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5])(N[6a]C[6a])(O[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]N[6a]O[5])(C[5]C[5]HH)	O[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a,6a]C[5])(N[6a]C[6a])(O[5]C[5]){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	C[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]N[6a]O[5])(C[5]C[5]HH){2|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH){2|C<3>,2|H<1>}	114.2450	0.000	1	114.2450	0.000	1	114.1310	0.026	2	113.1704	0.453	8	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:2:2:	3:3:4:	3:4:	C[5,6a]-3:N[6a]-2:O[5]-2:	C[6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(O[5]C[5])	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]N[6a]O[5])(C[5]C[5]HH)	O[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(O[5]C[5]){3|C<3>,4|H<1>}	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]N[6a]O[5])(C[5]C[5]HH){2|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH){2|C<3>,2|H<1>}	112.4770	0.130	2	112.4770	0.017	2	112.4770	0.017	2	113.1704	0.453	8	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:2:2:	3:4:3:	3:4:	C[5,6a]-3:N[6a]-2:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(O[5]C[5])	C[5,6a](C[5,6a]N[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a,6a]O)	O[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(O[5]C[5]){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a,6a]O){1|H<1>,5|C<3>}	O[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH){1|H<1>,3|C<3>}	113.1470	0.000	1	113.1470	0.000	1	113.1470	0.000	1	113.1470	0.000	1	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:2:2:	4:3:3:	3:4:	C[5,6a]-3:N[6a]-2:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[5,5]C[6a])(N[6a]C[6a])(O[5]C[5,5])	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]N[6a]O[5])(C[6a]N[6a]H)	O[5](C[5,6a]C[5,6a]N[6a])(C[5,5]C[5,5]C[5]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[6a]C[6a])(O[5]C[5,5]){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]N[6a]O[5])(C[6a]N[6a]H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6a]C[5,6a]N[6a])(C[5,5]C[5,5]C[5]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	112.6910	0.208	2	112.6910	0.043	2	112.6910	0.043	2	112.9337	0.198	3	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:2:2:	4:3:3:	3:4:	C[5,6a]-3:N[6a]-2:O[5]-2:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(O[5]C[5,5])	C[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]N[6a]O[5])(C[6a]N[6a]N)	O[5](C[5,6a]C[5,6a]N[6a])(C[5,5]C[5]3)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(O[5]C[5,5]){1|H<1>,1|N<2>,2|N<3>,3|C<3>}	C[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]N[6a]O[5])(C[6a]N[6a]N){5|C<3>}	O[5](C[5,6a]C[5,6a]N[6a])(C[5,5]C[5]3){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	113.4190	0.000	1	113.4190	0.000	1	113.4190	0.000	1	112.9337	0.198	3	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:2:2:	4:3:3:	4:3:	C[5,6a]-3:O[5]-2:N[6a]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[4,5,5]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(O[5]C[4,5,5])(N[6a]C[6a])	C[5,6a](C[5,5]C[4,5,5]C[5]H)(C[5,6a]N[6a]O[5])(C[6a]C[6a]H)	O[5](C[4,5,5]C[4,5]C[5,5]C[4])(C[5,6a]C[5,6a]N[6a])	C[5,6a](C[5,6a]C[5,5]C[6a])(O[5]C[4,5,5])(N[6a]C[6a]){1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[4,5,5]C[5]H)(C[5,6a]N[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	O[5](C[4,5,5]C[4,5]C[5,5]C[4])(C[5,6a]C[5,6a]N[6a]){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	113.4570	0.000	1	113.4570	0.000	1	113.4570	0.000	1	115.6025	9.206	2	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:2:2:	4:3:3:	4:3:	C[5,6a]-3:O[6a]-2:O[5]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(O[6a]C[6a,6a])(O[5]C[5,5,6])	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]O[6a]O[5])(C[6a]C[6a,6a]O)	O[5](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[5,6a]O[6a])	C[5,6a](C[5,6a]C[5,6]C[6a])(O[6a]C[6a,6a])(O[5]C[5,5,6]){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]O[6a]O[5])(C[6a]C[6a,6a]O){2|C<3>,2|H<1>,3|C<4>}	O[5](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[5,6a]O[6a]){2|H<1>,3|C<3>,5|C<4>}	117.7480	0.000	1	117.7480	0.000	1	117.7480	0.000	1	115.6025	9.206	2	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:2:3:	3:2:3:	3:6:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a]-3:Si[4,4,5]-6:	C[5,6a](C[5,6a]C[6a]O[5])(O[5]Si[4,4,5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]O[5])(O[5]Si[4,4,5])(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(Si[4,4,5]N[4]4O[5])	C[5,6a](C[5,6a]C[6a]O[5])(O[5]Si[4,4,5])(C[6a]C[6a]C){1|C<3>,2|H<1>,4|N<3>}	C[5,6a](C[5,6a]C[6a]O[5])(O[5]Si[4,4,5])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|N<3>}	O[5](C[5,6a]C[5,6a]C[6a])(Si[4,4,5]N[4]4O[5]){4|C<3>,5|C<4>}	112.6400	0.000	1	112.6400	0.000	1	113.2890	0.842	2	113.2890	0.842	2	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:2:3:	3:2:3:	3:6:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a]-3:Si[4,4,5]-6:	C[5,6a](C[5,6a]C[6a]O[5])(O[5]Si[4,4,5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]O[5])(O[5]Si[4,4,5])(C[6a]C[6a]C)	O[5](C[5,6a]C[5,6a]C[6a])(Si[4,4,5]N[4]4O[5])	C[5,6a](C[5,6a]C[6a]O[5])(O[5]Si[4,4,5])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|N<3>}	C[5,6a](C[5,6a]C[6a]O[5])(O[5]Si[4,4,5])(C[6a]C[6a]C){1|C<3>,2|H<1>,4|N<3>}	O[5](C[5,6a]C[5,6a]C[6a])(Si[4,4,5]N[4]4O[5]){1|H<1>,4|C<3>,4|C<4>}	113.9380	0.000	1	113.9380	0.000	1	113.2890	0.842	2	113.2890	0.842	2	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:2:3:	3:2:3:	4:3:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a]O[5])(O[5]C[5,5,6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]O[5])(O[5]C[5,5,6])(C[6a]C[6a]O)	O[5](C[5,5,6]C[5,6]2O[5])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[6a]O[5])(O[5]C[5,5,6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(O[5]C[5,5,6])(C[6a]C[6a]O){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,5,6]C[5,6]2O[5])(C[5,6a]C[5,6a]C[6a]){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	108.9080	0.000	1	108.9080	0.000	1	109.7835	1.533	2	109.7835	1.533	2	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:2:3:	3:2:3:	4:3:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a]O[5])(O[5]C[5,5,6])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[6a]O[5])(O[5]C[5,5,6])(C[6a]C[6a]H)	O[5](C[5,5,6]C[5,6]2O[5])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[6a]O[5])(O[5]C[5,5,6])(C[6a]C[6a]O){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(O[5]C[5,5,6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>}	O[5](C[5,5,6]C[5,6]2O[5])(C[5,6a]C[5,6a]C[6a]){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	110.6590	0.000	1	110.6590	0.000	1	109.7835	1.533	2	109.7835	1.533	2	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:2:3:	3:2:3:	6:3:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a]-3:O[5]-2:C[6a]-3:	Si[4,5,5]-6:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a]O[5])(O[5]Si[4,5,5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]O[5])(O[5]Si[4,5,5])(C[6a]C[6a]H)	O[5](Si[4,5,5]N[5,6]N[4]2O[5]2)(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[6a]O[5])(O[5]Si[4,5,5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|N<3>}	C[5,6a](C[5,6a]C[6a]O[5])(O[5]Si[4,5,5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|N<3>}	O[5](Si[4,5,5]N[5,6]N[4]2O[5]2)(C[5,6a]C[5,6a]C[6a]){1|H<1>,2|C<4>,6|C<3>}	113.6290	0.219	2	113.6290	0.048	2	113.6290	0.048	2	113.6290	0.048	2	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:2:3:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:C[6a]-3:	N[5,6,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:	C[5,6a](C[5,6a]N[5,6,6]C[6a])(O[5]C[5,6,6])(C[6a]C[6a]H)	C[5,6a](N[5,6,6]C[5,6,6]C[3x6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,6,6]N[5,6,6]C[3x6]C)(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]N[5,6,6]C[6a])(O[5]C[5,6,6])(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](N[5,6,6]C[5,6,6]C[3x6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	O[5](C[5,6,6]N[5,6,6]C[3x6]C)(C[5,6a]C[5,6a]C[6a]){2|C<4>,2|H<1>,3|C<3>}	111.5730	0.016	2	111.5730	0.000	2	111.5503	0.002	3	111.3397	0.178	4	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:2:3:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:C[6a]-3:	N[5,6,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:	C[5,6a](C[5,6a]N[5,6,6]C[6a])(O[5]C[5,6,6])(C[6a]C[6a]H)	C[5,6a](N[5,6,6]C[5,6,6]C[3x6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,6,6]N[5,6,6]C[3x6]C[6a])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]N[5,6,6]C[6a])(O[5]C[5,6,6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](N[5,6,6]C[5,6,6]C[3x6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	O[5](C[5,6,6]N[5,6,6]C[3x6]C[6a])(C[5,6a]C[5,6a]C[6a]){2|C<4>,2|H<1>,5|C<3>}	111.5050	0.000	1	111.5050	0.000	1	111.5503	0.002	3	111.3397	0.178	4	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:2:3:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:C[6a]-3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[4,5,6]-4:C[5,6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(O[5]C[4,5,6])(C[6a]C[6a]H)	C[5,6a](N[5,6]C[4,5,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[4,5,6]C[4,6]N[5,6]C[4])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]N[5,6]C[6a])(O[5]C[4,5,6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](N[5,6]C[4,5,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[4,5,6]C[4,6]N[5,6]C[4])(C[5,6a]C[5,6a]C[6a]){1|C<4>,4|C<3>,4|H<1>}	110.7080	0.000	1	110.7080	0.000	1	110.7080	0.000	1	111.3397	0.178	4	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:2:3:	3:3:3:	5:3:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	P[5,5,6]-5:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(O[5]P[5,5,6])(C[6a]C[6a]H)	C[5,6a](C[5,5]P[5,5,6]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](P[5,5,6]C[5,6a]C[6,6a]2C[5,5])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,5]C[6a])(O[5]P[5,5,6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5,6a](C[5,5]P[5,5,6]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,5|C<3>}	O[5](P[5,5,6]C[5,6a]C[6,6a]2C[5,5])(C[5,6a]C[5,6a]C[6a]){1|H<1>,9|C<3>}	116.9820	0.000	1	116.9820	0.000	1	116.9820	0.000	1	116.1676	0.257	5	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:2:3:	3:3:3:	5:3:	C[5,6a]-3:O[5]-2:C[6a]-3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	Si[4,5,5]-5:C[5,6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(O[5]Si[4,5,5])(C[6a]C[6a]H)	C[5,6a](N[5,5]Si[4,5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](Si[4,5,5]N[5,5a]N[5,5]C[4]2)(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]N[5,5]C[6a])(O[5]Si[4,5,5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](N[5,5]Si[4,5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	O[5](Si[4,5,5]N[5,5a]N[5,5]C[4]2)(C[5,6a]C[5,6a]C[6a]){1|C<4>,5|C<3>,5|H<1>}	115.9640	0.258	4	115.9640	0.067	4	115.9640	0.067	4	116.1676	0.257	5	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:2:3:	3:3:3:	6:3:	C[5,6a]-3:O[5]-2:C[6a]-3:	N[5]-3:C[5,6a]-3:C[6a]-3:	In[4,5,5]-6:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(O[5]In[4,5,5])(C[6a]C[6a]C)	C[5,6a](N[5]In[4,5,5]C[6a])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](In[4,5,5]N[5]2O[5]S[4]2)(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[6a]N[5])(O[5]In[4,5,5])(C[6a]C[6a]C){1|N<3>,1|O<2>,2|C<3>,2|H<1>,2|S<2>}	C[5,6a](N[5]In[4,5,5]C[6a])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,2|S<2>,3|C<3>}	O[5](In[4,5,5]N[5]2O[5]S[4]2)(C[5,6a]C[5,6a]C[6a]){1|C<4>,7|C<3>}	118.8720	0.195	2	118.8720	0.038	2	118.8720	0.038	2	121.5646	3.316	11	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:2:3:	3:3:3:	6:3:	C[5,6a]-3:O[5]-2:C[6a]-3:	O[4,5]-3:C[5,6a]-3:C[6a]-3:	In[4,5,5]-6:C[5,6a]-3:	C[5,6a](C[5,6a]O[4,5]C[6a])(O[5]In[4,5,5])(C[6a]C[6a]C)	C[5,6a](O[4,5]In[4,5,5]In[4])(C[5,6a]C[6a]O[5])(C[6a]C[6a]C)	O[5](In[4,5,5]O[4,5]2O[5]3)(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]O[4,5]C[6a])(O[5]In[4,5,5])(C[6a]C[6a]C){1|In<4>,1|C<3>,1|C<4>,1|H<1>,1|O<2>,3|O<3>}	C[5,6a](O[4,5]In[4,5,5]In[4])(C[5,6a]C[6a]O[5])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|I<1>,3|O<3>}	O[5](In[4,5,5]O[4,5]2O[5]3)(C[5,6a]C[5,6a]C[6a]){1|In<4>,4|C<3>,5|C<4>}	118.4870	0.000	1	118.4870	0.000	1	118.4870	0.000	1	121.5646	3.316	11	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:2:3:	3:3:3:	6:3:	C[5,6a]-3:O[5]-2:C[6a]-3:	S[5,5]-3:C[5,6a]-3:C[6a]-3:	In[4,3x5]-6:C[5,6a]-3:	C[5,6a](C[5,6a]S[5,5]C[6a])(O[5]In[4,3x5])(C[6a]C[6a]C)	C[5,6a](S[5,5]In[4,3x5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](In[4,3x5]S[5,5]2O[4]2O[5])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]S[5,5]C[6a])(O[5]In[4,3x5])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|O<2>,1|S<3>,2|H<1>,2|O<3>}	C[5,6a](S[5,5]In[4,3x5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<3>,2|H<1>,2|O<3>,3|C<4>}	O[5](In[4,3x5]S[5,5]2O[4]2O[5])(C[5,6a]C[5,6a]C[6a]){1|In<6>,4|C<3>,5|C<4>}	122.6225	0.169	8	122.6225	0.028	8	122.6225	0.028	8	121.5646	3.316	11	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:2:3:	4:3:3:	3:4:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5,6]-4:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(O[5]C[5,5,6])(C[6a]C[6a]H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(O[5]C[5,5,6])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H){2|C<3>,3|C<4>,3|H<1>}	113.6280	0.000	1	113.6280	0.000	1	113.6280	0.000	1	113.6280	0.000	1	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:2:3:	4:3:3:	4:3:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[4,5,5]-4:C[5,6a]-3:C[6a]-3:	C[4,5,5]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[4,5,5]C[6a])(O[5]C[4,5,5])(C[6a]C[6a]H)	C[5,6a](C[4,5,5]C[4,5,5]2Ge[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[4,5,5]C[4,5,5]2C[5,5a])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[4,5,5]C[6a])(O[5]C[4,5,5])(C[6a]C[6a]H){1|Ge<4>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[4,5,5]C[4,5,5]2Ge[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	O[5](C[4,5,5]C[4,5,5]2C[5,5a])(C[5,6a]C[5,6a]C[6a]){2|Ge<4>,1|C<4>,1|H<1>,1|O<2>,4|C<3>}	113.9620	0.000	1	113.9620	0.000	1	113.6305	0.220	2	113.1606	0.844	18	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:2:3:	4:3:3:	4:3:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[4,5,5]-4:C[5,6a]-3:C[6a]-3:	C[4,5,5]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[4,5,5]C[6a])(O[5]C[4,5,5])(C[6a]C[6a]H)	C[5,6a](C[4,5,5]C[4,5,5]2Si[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[4,5,5]C[4,5,5]2C[5,5a])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[4,5,5]C[6a])(O[5]C[4,5,5])(C[6a]C[6a]H){1|Si<4>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[4,5,5]C[4,5,5]2Si[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	O[5](C[4,5,5]C[4,5,5]2C[5,5a])(C[5,6a]C[5,6a]C[6a]){2|Si<4>,1|C<4>,1|H<1>,1|O<2>,4|C<3>}	113.2990	0.000	1	113.2990	0.000	1	113.6305	0.220	2	113.1606	0.844	18	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:2:3:	4:3:3:	4:3:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[4,5,6]-4:C[6a,6a]-3:C[5,6a]-3:	C[4,5,6]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[4,5,6]C[6a,6a])(O[5]C[4,5,6])(C[6a]C[6a]H)	C[5,6a](C[4,5,6]C[4,5,6]C[6,6a]C[4])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])	O[5](C[4,5,6]C[4,5,6]C[6,6a]C[4])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[4,5,6]C[6a,6a])(O[5]C[4,5,6])(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[4,5,6]C[4,5,6]C[6,6a]C[4])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5]){1|C<4>,4|H<1>,6|C<3>}	O[5](C[4,5,6]C[4,5,6]C[6,6a]C[4])(C[5,6a]C[5,6a]C[6a]){1|H<1>,3|C<4>,5|C<3>}	114.6390	0.000	1	114.6390	0.000	1	114.6390	0.000	1	113.1606	0.844	18	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:2:3:	4:3:3:	4:3:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,3x6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,3x6]C[6a])(O[5]C[5,6,6])(C[6a]C[6a]H)	C[5,6a](C[5,3x6]C[5,6,6]C[6,6]2)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	O[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,3x6]C[6a])(O[5]C[5,6,6])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,3x6]C[5,6,6]C[6,6]2)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){2|C<4>,3|C<3>,6|H<1>}	O[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5,6a]C[5,6a]C[6a]){2|C<3>,3|C<4>,3|H<1>}	112.4835	0.622	2	112.4835	0.386	2	112.4835	0.386	2	113.1606	0.844	18	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:2:3:	4:3:3:	4:3:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(O[5]C[5,5,6,6])(C[6a]C[6,6a]O)	C[5,6a](C[5,5,6]C[5,5,6,6]C[5,6a]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)	O[5](C[5,5,6,6]C[5,5,6]C[3x6]N[5,6])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,5,6]C[6a])(O[5]C[5,5,6,6])(C[6a]C[6,6a]O){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[5,6a](C[5,5,6]C[5,5,6,6]C[5,6a]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	O[5](C[5,5,6,6]C[5,5,6]C[3x6]N[5,6])(C[5,6a]C[5,6a]C[6a]){1|H<1>,1|N<3>,1|O<2>,3|C<4>,4|C<3>}	115.5730	0.000	1	115.5730	0.000	1	115.5730	0.000	1	113.1606	0.844	18	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:2:3:	4:3:3:	4:3:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(O[5]C[5,5,6])(C[6a]C[6a]H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,5,6]C[5,5,6]C[6,6]N[5])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,5,6]C[6a])(O[5]C[5,5,6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	O[5](C[5,5,6]C[5,5,6]C[6,6]N[5])(C[5,6a]C[5,6a]C[6a]){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	113.5150	0.000	1	113.5150	0.000	1	113.2022	0.146	5	113.1606	0.844	18	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:2:3:	4:3:3:	4:3:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(O[5]C[5,5,6])(C[6a]C[6a]H)	C[5,6a](C[5,5,6]C[5,5,6]C[6]N[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,5,6]C[6a])(O[5]C[5,5,6])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[6]N[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<4>,3|C<3>,4|H<1>}	O[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5,6a]C[5,6a]C[6a]){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	113.2350	0.000	1	113.1160	0.028	2	113.2022	0.146	5	113.1606	0.844	18	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:2:3:	4:3:3:	4:3:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(O[5]C[5,5,6])(C[6a]C[6a]H)	C[5,6a](C[5,5,6]C[5,5,6]C[6]N[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,5,6]C[6a])(O[5]C[5,5,6])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]C[6]N[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	O[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5,6a]C[5,6a]C[6a]){1|C<4>,1|N<2>,3|H<1>,5|C<3>}	112.9970	0.000	1	113.1160	0.028	2	113.2022	0.146	5	113.1606	0.844	18	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:2:3:	4:3:3:	4:3:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(O[5]C[5,5,6])(C[6a]C[6a]H)	C[5,6a](C[5,5,6]C[5,5,6]C[6]N[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	O[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,5,6]C[6a])(O[5]C[5,5,6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,5,6]C[5,5,6]C[6]N[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	O[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5,6a]C[5,6a]C[6a]){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	113.1320	0.659	2	113.1320	0.434	2	113.2022	0.146	5	113.1606	0.844	18	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:2:3:	4:3:3:	4:3:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(O[5]C[5,5,6])(C[6a]C[6a]C)	C[5,6a](C[5,5]C[5,5,6]O[5]H)(C[5,6a]C[6a]O[5])(C[6a]O[6a]O)	O[5](C[5,5,6]C[5,6,6]C[5,5]C[6])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,5]C[6a])(O[5]C[5,5,6])(C[6a]C[6a]C){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[5,6a](C[5,5]C[5,5,6]O[5]H)(C[5,6a]C[6a]O[5])(C[6a]O[6a]O){2|C<3>,3|C<4>}	O[5](C[5,5,6]C[5,6,6]C[5,5]C[6])(C[5,6a]C[5,6a]C[6a]){1|H<1>,1|O<2>,3|C<3>,5|C<4>}	113.6340	0.000	1	113.6340	0.000	1	113.6340	0.000	1	113.1606	0.844	18	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:2:3:	4:3:3:	4:3:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(O[5]C[5,6,6])(C[6a]C[6a]H)	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,6,6]C[6a])(O[5]C[5,6,6])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a]){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	112.7780	0.000	1	112.3510	0.153	3	112.5204	0.148	5	113.1606	0.844	18	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:2:3:	4:3:3:	4:3:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(O[5]C[5,6,6])(C[6a]C[6a]H)	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,6,6]C[6a])(O[5]C[5,6,6])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a]){1|N<4>,2|C<3>,2|H<1>,3|C<4>}	112.2650	0.000	1	112.3510	0.153	3	112.5204	0.148	5	113.1606	0.844	18	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:2:3:	4:3:3:	4:3:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(O[5]C[5,6,6])(C[6a]C[6a]H)	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,6,6]C[6a])(O[5]C[5,6,6])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a]){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	112.0100	0.000	1	112.3510	0.153	3	112.5204	0.148	5	113.1606	0.844	18	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:2:3:	4:3:3:	4:3:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(O[5]C[5,6,6])(C[6a]C[6a]H)	C[5,6a](C[5,6,6]C[5,6,6]C[6]O[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,6,6]C[6a])(O[5]C[5,6,6])(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<3>}	C[5,6a](C[5,6,6]C[5,6,6]C[6]O[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	O[5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5,6a]C[5,6a]C[6a]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	112.5850	0.000	1	112.5850	0.000	1	112.5204	0.148	5	113.1606	0.844	18	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:2:3:	4:3:3:	4:3:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(O[5]C[5,6,6])(C[6a]C[6a]O)	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,6,6]C[6a])(O[5]C[5,6,6])(C[6a]C[6a]O){1|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a]){1|H<1>,1|N<3>,1|O<2>,2|C<3>,3|C<4>}	112.9640	0.000	1	112.9640	0.000	1	112.5204	0.148	5	113.1606	0.844	18	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:2:3:	4:3:3:	4:3:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(O[5]C[5,6,6])(C[6a]C[6a]C)	C[5,6a](C[5,6]C[5,6,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,6]C[6a])(O[5]C[5,6,6])(C[6a]C[6a]C){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,6]C[5,6,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){2|C<4>,3|C<3>,3|H<1>}	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[5,6a]C[6a]){3|C<4>,3|H<1>,4|C<3>}	112.2030	0.000	1	112.2030	0.000	1	112.2030	0.000	1	113.1606	0.844	18	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:2:3:	6:3:3:	6:3:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5x3,6x5,20x6]-6:C[5,6a]-3:C[6a]-3:	B[5x3,6x5,20x6]-6:C[5,6a]-3:	C[5,6a](C[5,6a]C[5x3,6x5,20x6]C[6a])(O[5]B[5x3,6x5,20x6])(C[6a]C[6a]H)	C[5,6a](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](B[5x3,6x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,6x5,20x6])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5x3,6x5,20x6]C[6a])(O[5]B[5x3,6x5,20x6])(C[6a]C[6a]H){1|C<3>,1|C<6>,2|H<1>,5|B<6>}	C[5,6a](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,5|B<6>,5|H<1>}	O[5](B[5x3,6x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,6x5,20x6])(C[5,6a]C[5,6a]C[6a]){1|C<4>,2|C<3>,4|H<1>,5|B<6>}	115.7450	0.000	1	115.7450	0.000	1	115.7413	0.361	3	115.7413	0.361	3	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:2:3:	6:3:3:	6:3:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5x3,6x5,20x6]-6:C[5,6a]-3:C[6a]-3:	B[5x3,6x5,20x6]-6:C[5,6a]-3:	C[5,6a](C[5,6a]C[5x3,6x5,20x6]C[6a])(O[5]B[5x3,6x5,20x6])(C[6a]C[6a]H)	C[5,6a](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](B[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5x3,6x5,20x6]C[6a])(O[5]B[5x3,6x5,20x6])(C[6a]C[6a]H){1|C<3>,1|C<6>,2|H<1>,5|B<6>}	C[5,6a](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|F<1>,5|B<6>,5|H<1>}	O[5](B[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,6a]C[5,6a]C[6a]){1|C<6>,2|C<3>,4|B<6>,5|H<1>}	116.3400	0.000	1	116.3400	0.000	1	115.7413	0.361	3	115.7413	0.361	3	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:2:3:	6:3:3:	6:3:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5x3,6x5,20x6]-6:C[5,6a]-3:C[6a]-3:	B[5x3,6x5,20x6]-6:C[5,6a]-3:	C[5,6a](C[5,6a]C[5x3,6x5,20x6]C[6a])(O[5]B[5x3,6x5,20x6])(C[6a]C[6a]H)	C[5,6a](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	O[5](B[5x3,6x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,6x5,20x6])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5x3,6x5,20x6]C[6a])(O[5]B[5x3,6x5,20x6])(C[6a]C[6a]H){1|C<3>,1|C<6>,1|H<1>,1|O<2>,5|B<6>}	C[5,6a](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|C<3>,5|B<6>,6|H<1>}	O[5](B[5x3,6x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,6x5,20x6])(C[5,6a]C[5,6a]C[6a]){2|C<3>,5|B<6>,5|H<1>}	115.1390	0.000	1	115.1390	0.000	1	115.7413	0.361	3	115.7413	0.361	3	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|O<2>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]H){1|H<1>,2|C<3>}	110.3780	0.000	1	109.7550	0.776	2	109.9130	0.393	4	112.8402	5.747	11	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]H){1|H<1>,2|C<3>}	109.1320	0.000	1	109.7550	0.776	2	109.9130	0.393	4	112.8402	5.747	11	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]H){1|H<1>,2|C<3>}	110.0710	0.550	2	110.0710	0.303	2	109.9130	0.393	4	112.8402	5.747	11	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:P[5]-2:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(P[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]C)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|H<1>,1|P<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(P[5]C[5]){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]C){1|H<1>,2|C<3>}	114.2670	0.000	1	114.2670	0.000	1	114.9527	0.353	3	112.8402	5.747	11	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:P[5]-2:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(P[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(P[5]C[5]){2|C<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5]){1|H<1>,4|C<3>}	115.2955	0.036	2	115.2955	0.001	2	114.9527	0.353	3	112.8402	5.747	11	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(S[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(S[5]C[5]){2|C<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C){1|H<1>,2|C<3>}	114.4420	0.000	1	114.4420	0.000	1	114.4420	0.000	1	112.8402	5.747	11	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:3:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:P[5]-2:	C[5,6a]-3:C[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]P[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(P[5]C[5])	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]P[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]P[5])(O[5]C[5]){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(P[5]C[5]){1|H<1>,3|C<3>}	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]P[5]){5|C<3>}	114.7270	0.000	1	114.7270	0.000	1	114.7270	0.000	1	112.8402	5.747	11	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:3:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:P[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]O[5])(O[5]P[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]O[5])(O[5]P[5])	O[5](C[5,6a]C[6a,6a]C[5,6a])(P[5]O[5]C)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]O[5])(O[5]P[5]){1|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]O[5])(O[5]P[5]){1|H<1>,5|C<3>}	O[5](C[5,6a]C[6a,6a]C[5,6a])(P[5]O[5]C){3|C<3>}	113.7815	0.149	2	113.7815	0.022	2	113.7815	0.022	2	112.8402	5.747	11	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(O[5]C[5])	O[5](C[5,6a]C[5,6a]2)(C[5]O[5]CC)	C[5,6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[6a]O[5])(O[5]C[5]){3|C<3>,5|C<4>}	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(O[5]C[5]){1|Br<1>,1|C<3>,3|C<4>}	O[5](C[5,6a]C[5,6a]2)(C[5]O[5]CC){1|C<4>,2|C<3>}	108.4200	2.748	4	108.4200	7.553	4	108.9744	2.323	26	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(O[5]C[5])	O[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|C<3>,2|H<1>,5|C<4>}	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH){1|C<4>,2|C<3>}	110.1000	0.000	1	110.5820	0.465	2	108.9744	2.323	26	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(O[5]C[5])	O[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[6a]O[5])(O[5]C[5]){2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH){1|C<4>,2|C<3>}	111.0640	0.000	1	110.5820	0.465	2	108.9744	2.323	26	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	O[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH){1|C<4>,2|C<3>}	110.4025	0.357	4	110.3474	0.111	5	108.9744	2.323	26	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH){3|C<3>}	110.1270	0.000	1	110.3474	0.111	5	108.9744	2.323	26	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]Ge[5])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[5,6a]Ge[5])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|Cl<1>,1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ge<3>,1|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH){1|Ge<3>,2|C<3>}	109.5470	0.110	2	109.6222	0.026	4	108.9744	2.323	26	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]Ge[5])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[5,6a]Ge[5])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|Ge<3>,1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ge<3>,1|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH){1|Ge<3>,2|C<3>}	109.6975	0.207	2	109.6222	0.026	4	108.9744	2.323	26	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[6a]O[5])(O[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH){1|N<3>,2|C<3>}	109.6380	0.000	1	109.6380	0.000	1	108.9744	2.323	26	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]Nb[5,5])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[5,6a]Nb[5,5])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|Cl<1>,1|N<2>,2|N<3>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Nb<6>,1|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH){1|Nb<6>,2|C<3>}	107.9935	0.572	6	108.0006	0.241	8	108.9744	2.323	26	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]Nb[5,5])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[5,6a]Nb[5,5])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|N<2>,1|O<2>,2|N<3>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Nb<6>,1|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH){1|Nb<6>,2|C<3>}	108.0220	0.222	2	108.0006	0.241	8	108.9744	2.323	26	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]Nb[3,5,5]C[5,6a])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH)	C[5,6a](C[5,6a]Nb[3,5,5]C[5,6a])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|C<4>,1|H<2>,1|N<2>,2|N<3>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Nb<7>,1|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH){1|Nb<7>,2|C<3>}	107.3105	1.296	2	107.3105	1.680	2	108.9744	2.323	26	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(O[5]C[5])	C[5,6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[6a]O[5])(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(O[5]C[5]){1|Br<1>,1|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[6a]O[5])(O[5]C[5]){3|C<3>,5|C<4>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC){1|C<4>,2|C<3>}	110.1655	0.021	4	110.1655	0.000	4	110.0513	0.524	26	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(O[5]C[5])	C[5,6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[6a]O[5])(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|C<3>,2|H<1>,5|C<4>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|C<4>,2|C<3>}	109.4920	0.000	1	109.2080	0.161	2	110.0513	0.524	26	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(O[5]C[5])	C[5,6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[6a]O[5])(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[6a]O[5])(O[5]C[5]){2|H<1>,3|C<3>,3|C<4>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|C<4>,2|C<3>}	108.9240	0.000	1	109.2080	0.161	2	110.0513	0.524	26	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]O[5])(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.2945	0.672	4	109.2344	0.357	5	110.0513	0.524	26	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]O[5])(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|C<4>,3|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	108.9940	0.000	1	109.2344	0.357	5	110.0513	0.524	26	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[5,6a]Ge[5])(C[5,6a]C[6a]O[5])(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ge<3>,1|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]Ge[5])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|Cl<1>,1|N<3>,2|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.8800	0.219	2	110.3440	0.305	4	110.0513	0.524	26	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[5,6a]Ge[5])(C[5,6a]C[6a]O[5])(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ge<3>,1|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]Ge[5])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|Ge<3>,1|N<3>,2|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	110.8080	0.081	2	110.3440	0.305	4	110.0513	0.524	26	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[6a]O[5])(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[6a]O[5])(O[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.3830	0.000	1	109.3830	0.000	1	110.0513	0.524	26	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[5,6a]Nb[5,5])(C[5,6a]C[6a]O[5])(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Nb<6>,1|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]Nb[5,5])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|Cl<1>,1|N<2>,2|N<3>,3|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	110.6187	0.303	6	110.5261	0.105	8	110.0513	0.524	26	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[5,6a]Nb[5,5])(C[5,6a]C[6a]O[5])(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Nb<6>,1|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]Nb[5,5])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|N<2>,1|O<2>,2|N<3>,3|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	110.2485	0.269	2	110.5261	0.105	8	110.0513	0.524	26	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]Nb[3,5,5]C[5,6a])(C[5,6a]C[6a]O[5])(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Nb<7>,1|C<3>,3|H<1>}	C[5,6a](C[5,6a]Nb[3,5,5]C[5,6a])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|C<4>,1|H<2>,1|N<2>,2|N<3>,3|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	110.5575	1.391	2	110.5575	1.935	2	110.0513	0.524	26	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5,5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5,5]){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5,5]){1|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5]){1|H<1>,2|O<1>,4|C<3>}	109.2800	0.052	2	109.2800	0.003	2	109.2732	0.093	13	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5,5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]2)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5,5]){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,1|N<3>,1|O<2>,2|C<4>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]2){2|C<4>,4|C<3>}	108.9140	0.000	1	108.9140	0.000	1	109.2732	0.093	13	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5,5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]2)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5,5]){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]2){1|C<4>,1|H<1>,4|C<3>}	109.2650	0.000	1	109.2650	0.000	1	109.2732	0.093	13	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5,5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5,5]){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5,5]){2|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5]){1|H<1>,2|O<1>,4|C<3>}	109.6940	0.264	2	109.6940	0.070	2	109.2732	0.093	13	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5,5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]3)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,2|H<1>,2|O<2>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]3){1|H<1>,2|C<3>,2|C<4>}	109.2036	0.297	7	109.2036	0.088	7	109.2732	0.093	13	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,6]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5,6])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5,6]){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5,6]){1|H<1>,2|C<3>,2|C<4>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5]){2|C<3>,2|C<4>,5|H<1>}	108.9348	0.132	4	108.9348	0.017	4	109.4846	0.400	12	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,6]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5,6])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5]){2|C<3>,2|C<4>,5|H<1>}	109.8938	0.772	4	109.8502	0.459	6	109.4846	0.400	12	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,6]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5,6])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5,6]){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5,6]){2|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5]){1|H<1>,2|N<2>,4|C<3>}	109.7630	0.696	2	109.8502	0.459	6	109.4846	0.400	12	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,6]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5,6])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]O[5]O[6]2)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,2|H<1>,2|O<2>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]O[5]O[6]2){1|H<1>,2|C<3>,2|C<4>}	109.4875	0.207	2	109.4875	0.043	2	109.4846	0.400	12	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC){1|H<1>,2|C<3>}	109.5713	0.381	6	109.5713	0.145	6	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.7082	0.608	16	109.6670	0.217	60	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.5745	0.410	10	109.6670	0.217	60	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.8007	0.178	3	109.6670	0.217	60	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.7688	0.423	10	109.6670	0.217	60	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.6386	0.492	14	109.6670	0.217	60	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.5040	0.168	3	109.6670	0.217	60	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.6005	0.401	4	109.6670	0.217	60	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){1|C<3>,1|N<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.6760	0.000	1	109.4562	0.143	38	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){1|C<3>,1|N<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){1|C<3>,1|S<2>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.7820	0.163	2	109.4562	0.143	38	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.7690	0.119	4	109.4562	0.143	38	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){1|C<3>,1|N<2>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.5740	0.000	1	109.4562	0.143	38	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.5949	0.413	12	109.4562	0.143	38	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){1|C<3>,1|S<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){1|C<3>,1|N<2>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.3735	0.340	2	109.4562	0.143	38	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.2255	0.418	4	109.4562	0.143	38	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.2216	0.287	12	109.4562	0.143	38	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a]C[6a])(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]FF)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a]C[6a])(O[5]C[5]){2|F<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|H<1>,2|C<3>,2|F<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]FF){3|C<3>}	108.2620	0.000	1	108.2620	0.000	1	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6,6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.8085	0.289	4	109.8085	0.083	4	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]Br)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]Br)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|Br<1>,2|C<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|Br<1>,2|C<3>}	111.5780	0.000	1	111.5780	0.000	1	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]Br)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|Br<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]Br)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.5370	0.000	1	109.5370	0.000	1	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.7841	0.353	123	109.8031	0.138	293	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|N<2>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.3860	0.000	1	109.8031	0.138	293	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.6760	0.072	3	109.8031	0.138	293	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.7590	0.406	36	109.8031	0.138	293	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|S<4>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.7833	0.273	3	109.8031	0.138	293	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.9611	0.283	30	109.8031	0.138	293	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|N<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	110.1000	0.000	1	109.8031	0.138	293	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	110.1973	0.197	3	109.8031	0.138	293	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.8370	0.439	7	109.8031	0.138	293	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.8971	0.399	34	109.8031	0.138	293	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.8637	0.120	3	109.8031	0.138	293	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|S<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.8950	0.175	3	109.8031	0.138	293	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.6717	0.275	30	109.8031	0.138	293	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.4937	0.284	7	109.8031	0.138	293	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.7413	0.282	3	109.8031	0.138	293	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.9668	0.908	6	109.8031	0.138	293	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	106.9640	3.164	2	108.8615	2.909	8	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O)(O[5]C[5]){2|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.5720	0.298	2	108.8615	2.909	8	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O)(O[5]C[5]){2|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.4550	0.465	4	108.8615	2.909	8	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|O<2>,2|C<3>}	111.5810	1.830	2	110.9485	0.986	8	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O)(O[5]C[5]){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|O<2>,2|C<3>}	110.4500	1.205	2	110.9485	0.986	8	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O)(O[5]C[5]){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|O<2>,2|C<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|O<2>,2|C<3>}	110.8815	0.512	4	110.9485	0.986	8	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]C)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]C)(O[5]C[5]){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|C<4>,2|C<3>}	108.4500	0.209	2	108.4500	0.044	2	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]C)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]C)(O[5]C[5]){2|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.3710	0.065	2	109.3710	0.004	2	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){1|H<1>,2|C<3>,2|C<4>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC){1|H<1>,2|C<3>}	108.6215	0.211	2	108.6215	0.045	2	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.6420	0.000	1	109.4176	0.084	52	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	110.1410	0.000	1	109.4176	0.084	52	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.4060	0.000	1	109.4176	0.084	52	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.2420	0.000	1	109.4176	0.084	52	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.4018	0.280	48	109.4176	0.084	52	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]O)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]O)(O[5]C[5]){2|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.5310	0.000	1	109.6720	0.049	3	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]O)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){1|C<3>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]O)(O[5]C[5]){2|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.7425	0.261	2	109.6720	0.049	3	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]O)(O[5]C[5]){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|O<2>,2|C<3>}	109.7500	0.000	1	109.5357	0.090	3	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]O)(O[5]C[5]){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){1|C<3>,2|H<1>,2|O<2>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|O<2>,2|C<3>}	109.4285	0.333	2	109.5357	0.090	3	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]2)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]2)(O[5]C[5]){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5]){2|C<3>,3|C<4>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC){3|C<3>}	109.3400	0.000	1	109.3400	0.000	1	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]2)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]2)(O[5]C[5]){1|H<1>,1|P<3>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|H<1>,2|C<3>,2|C<4>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC){3|C<3>}	109.9140	0.000	1	109.9140	0.000	1	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]2)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]2)(O[5]C[5]){1|P<3>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){3|C<3>}	109.9070	0.116	2	110.0947	1.465	22	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]2)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]2)(O[5]C[5]){1|P<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){3|C<3>}	110.1135	1.271	20	110.0947	1.465	22	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]2)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]2)(O[5]C[5]){1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5]){2|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){3|C<3>}	110.0680	0.554	2	110.0680	0.307	2	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Al)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Al)(O[5]C[5]){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Al<4>,1|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|Al<4>,2|C<3>}	109.2140	0.000	1	109.2140	0.000	1	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Br)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Br)(O[5]C[5]){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5]){1|Br<1>,1|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|Br<1>,2|C<3>}	109.5310	0.339	3	109.5310	0.115	3	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]2)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5]){2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]2)(O[5]C[5]){1|H<1>,2|C<4>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC){3|C<3>}	109.9230	0.000	1	109.9230	0.000	1	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|C<4>,2|C<3>}	109.7310	0.295	3	109.7830	0.111	10	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){3|C<3>}	110.2610	0.000	1	109.7830	0.111	10	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|C<4>,2|C<3>}	109.7330	0.000	1	109.7830	0.111	10	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){3|C<3>}	109.3520	0.000	1	109.7830	0.111	10	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|N<3>,2|C<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){3|C<3>}	110.3140	0.000	1	109.7830	0.111	10	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){3|C<3>}	109.6590	0.190	3	109.7830	0.111	10	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cu)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cu)(O[5]C[5]){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Cu<3>,1|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|Cu<3>,2|C<3>}	107.4060	0.000	1	107.4060	0.000	1	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a]C[6a])(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]FF)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|H<1>,2|C<3>,2|F<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a]C[6a])(O[5]C[5]){2|F<1>,2|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]FF){1|H<1>,2|C<3>}	109.1130	0.000	1	109.1130	0.000	1	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]2)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]2)(O[5]C[5]){1|H<1>,1|P<3>,2|C<4>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC){1|H<1>,2|C<3>}	109.9850	0.000	1	109.9850	0.000	1	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]2)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]2)(O[5]C[5]){1|P<3>,3|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.6320	0.197	2	109.1945	1.786	22	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]2)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]2)(O[5]C[5]){1|P<4>,3|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.1507	1.396	20	109.1945	1.786	22	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Al)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Al<4>,1|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Al)(O[5]C[5]){2|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.8720	0.000	1	109.8720	0.000	1	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	110.0957	0.057	3	109.8367	0.120	10	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.4900	0.000	1	109.8367	0.120	10	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,4|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.3120	0.000	1	109.8367	0.120	10	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.5750	0.000	1	109.8367	0.120	10	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.8870	0.000	1	109.8367	0.120	10	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,4|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.9387	0.432	3	109.8367	0.120	10	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cu)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Cu<3>,1|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cu)(O[5]C[5]){2|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	111.4970	0.000	1	111.4970	0.000	1	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[6a]O[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[6a]O[5]){1|H<1>,1|N<2>,5|C<3>}	109.7108	0.305	4	109.7108	0.093	4	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC){1|H<1>,2|C<3>}	109.9082	0.250	4	109.9440	0.070	8	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC){1|H<1>,2|C<3>}	109.9797	0.311	4	109.9440	0.070	8	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]FF)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|H<1>,2|F<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,2|F<1>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]FF){1|H<1>,2|C<3>}	108.9080	0.000	1	108.6740	0.261	4	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]FF)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,2|F<1>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|H<1>,2|F<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]FF){1|H<1>,2|C<3>}	108.6510	0.000	1	108.6740	0.261	4	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]FF)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,2|F<1>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|H<1>,2|C<3>,2|F<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]FF){1|H<1>,2|C<3>}	109.1620	0.000	1	108.6740	0.261	4	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]FF)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|H<1>,2|C<3>,2|F<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,2|F<1>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]FF){1|H<1>,2|C<3>}	107.9750	0.000	1	108.6740	0.261	4	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Br<1>,1|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	110.0482	0.131	4	109.8248	0.204	754	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Br<1>,1|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.9310	0.072	2	109.8248	0.204	754	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<2>,1|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Cl<1>,1|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.7520	0.000	1	109.8248	0.204	754	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Br<1>,1|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.7965	0.165	4	109.8248	0.204	754	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.9667	0.449	16	109.8248	0.204	754	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|F<1>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.3030	0.000	1	109.8248	0.204	754	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|I<1>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.8290	0.000	1	109.8248	0.204	754	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.7560	0.079	2	109.8248	0.204	754	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.5722	0.488	10	109.8248	0.204	754	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.7977	0.409	135	109.8248	0.204	754	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.9343	0.346	10	109.8248	0.204	754	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|F<1>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	110.2760	0.000	1	109.8248	0.204	754	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|F<1>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	110.1070	0.000	1	109.8248	0.204	754	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|I<1>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	110.0850	0.000	1	109.8248	0.204	754	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|N<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.5400	0.000	1	109.8248	0.204	754	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.9375	0.037	2	109.8248	0.204	754	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.9687	0.370	11	109.8248	0.204	754	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ir<6>,1|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.4025	1.002	2	109.8248	0.204	754	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.8611	0.284	17	109.8248	0.204	754	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.9285	0.373	10	109.8248	0.204	754	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.9874	0.558	12	109.8248	0.204	754	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	110.0505	0.302	4	109.8248	0.204	754	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|P<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.5280	0.000	1	109.8248	0.204	754	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|S<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|S<2>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.5995	0.238	4	109.8248	0.204	754	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.8531	0.472	136	109.8248	0.204	754	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|N<2>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	110.2470	0.000	1	109.8248	0.204	754	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.7745	0.371	12	109.8248	0.204	754	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.7371	0.309	12	109.8248	0.204	754	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|P<4>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	110.7160	0.000	1	109.8248	0.204	754	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Se<2>,1|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	110.0800	0.000	1	109.8248	0.204	754	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Si<4>,1|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.9490	0.312	5	109.8248	0.204	754	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.9657	0.501	140	109.8248	0.204	754	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Cl<1>,1|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<2>,1|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	110.0740	0.000	1	109.8248	0.204	754	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ir<6>,1|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	110.4040	0.564	2	109.8248	0.204	754	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ir<8>,1|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.8010	0.000	1	109.8248	0.204	754	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Se<2>,1|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.8530	0.000	1	109.8248	0.204	754	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Si<4>,1|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.7434	0.260	5	109.8248	0.204	754	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Br<1>,1|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.8685	0.340	2	109.8248	0.204	754	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.8983	0.286	10	109.8248	0.204	754	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|F<1>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.4350	0.000	1	109.8248	0.204	754	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.5461	0.291	17	109.8248	0.204	754	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.6185	0.364	4	109.8248	0.204	754	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.6707	0.449	140	109.8248	0.204	754	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ir<8>,1|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.3110	0.000	1	109.8248	0.204	754	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.7873	0.688	8	109.8248	0.204	754	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]OO)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,2|H<1>,2|O<2>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]OO){1|H<1>,2|C<3>}	109.0703	0.193	6	109.0703	0.037	6	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Ir)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ir<8>,1|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Ir)(O[5]C[5]){2|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	110.8430	0.000	1	110.8430	0.000	1	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5]){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC){1|H<1>,2|C<3>}	109.5030	0.000	1	109.5030	0.000	1	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.7170	0.000	1	109.6057	0.134	22	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5]){1|C<3>,4|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.3093	0.095	3	109.6057	0.134	22	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5]){2|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.5971	0.409	9	109.6057	0.134	22	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.6533	0.487	3	109.6057	0.134	22	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5]){1|Br<1>,1|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.8070	0.000	1	109.6057	0.134	22	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5]){1|C<3>,4|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.7080	0.390	5	109.6057	0.134	22	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]P)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|P<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]P)(O[5]C[5]){2|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	108.8450	0.000	1	108.8450	0.000	1	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Sn)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Sn<3>,1|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Sn)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	110.1710	0.000	1	110.3420	0.025	3	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Sn)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Sn<3>,1|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Sn)(O[5]C[5]){2|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	110.4275	0.077	2	110.3420	0.025	3	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Zn)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Zn<4>,1|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Zn)(O[5]C[5]){2|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	110.3865	0.308	4	110.3865	0.095	4	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Ir)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Ir)(O[5]C[5]){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ir<8>,1|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|Ir<8>,2|C<3>}	107.5550	0.000	1	107.5550	0.000	1	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]2)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5]){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]2)(O[5]C[5]){1|O<2>,2|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|O<2>,2|C<3>}	110.6840	0.721	2	110.6840	0.520	2	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Br)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5]){1|Br<1>,1|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Br)(O[5]C[5]){1|O<2>,2|C<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|O<2>,2|C<3>}	110.7690	0.165	3	110.7690	0.027	3	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5]){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC){1|O<2>,2|C<3>}	110.5910	0.000	1	110.5910	0.000	1	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5]){1|Br<1>,1|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<2>,2|C<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|O<2>,2|C<3>}	109.5550	0.000	1	110.0638	0.367	22	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|O<2>,2|C<3>}	110.1930	0.000	1	110.0638	0.367	22	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|O<2>,2|C<3>}	109.8513	0.274	3	110.0638	0.367	22	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5]){1|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|O<2>,2|C<3>}	110.4870	0.554	3	110.0638	0.367	22	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5]){1|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<2>,2|C<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|O<2>,2|C<3>}	110.6334	0.473	5	110.0638	0.367	22	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(O[5]C[5]){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|O<2>,2|C<3>}	109.7193	0.548	9	110.0638	0.367	22	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]P)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]P)(O[5]C[5]){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|P<4>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|P<4>,2|C<3>}	109.6900	0.000	1	109.6900	0.000	1	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Sn)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Sn)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Sn<3>,1|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|Sn<3>,2|C<3>}	108.4640	0.000	1	108.6387	0.027	3	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Sn)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Sn)(O[5]C[5]){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Sn<3>,1|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|Sn<3>,2|C<3>}	108.7260	0.091	2	108.6387	0.027	3	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Zn)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Zn)(O[5]C[5]){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Zn<4>,1|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|Zn<4>,2|C<3>}	108.3743	0.161	4	108.3743	0.026	4	109.7675	0.305	1407	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:Ga[5,5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]Ga[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]Ga[5,5])	O[5](C[5,6a]C[5,6a]C[6a])(Ga[5,5]N[5]2O[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]Ga[5,5]){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]Ga[5,5]){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	O[5](C[5,6a]C[5,6a]C[6a])(Ga[5,5]N[5]2O[5]){1|C<4>,6|C<3>}	116.2380	0.055	2	116.2380	0.003	2	116.2380	0.003	2	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:P[5,6]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]P[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]P[5,6])	O[5](C[5,6a]C[5,6a]C[6a])(P[5,6]N[6]2O[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]P[5,6]){1|H<1>,2|C<3>,2|N<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]P[5,6]){1|H<1>,2|C<3>,2|N<2>}	O[5](C[5,6a]C[5,6a]C[6a])(P[5,6]N[6]2O[5]){1|H<1>,2|C<3>,2|P<4>}	111.6868	0.153	6	111.6868	0.023	6	111.7207	0.025	8	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:P[5,6]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]P[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]P[5,6])	O[5](C[5,6a]C[5,6a]C[6a])(P[5,6]N[6]2O[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]P[5,6]){1|C<3>,2|H<1>,2|N<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]P[5,6]){1|C<3>,2|H<1>,2|N<2>}	O[5](C[5,6a]C[5,6a]C[6a])(P[5,6]N[6]2O[5]){1|H<1>,2|C<3>,2|P<4>}	111.8225	0.168	2	111.8225	0.028	2	111.7207	0.025	8	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:P[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]P[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]P[5])	O[5](C[5,6a]C[5,6a]C[6a])(P[5]O[5]BC)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]P[5]){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]P[5]){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(P[5]O[5]BC){1|H<1>,2|C<3>}	112.0625	0.262	2	112.0625	0.069	2	112.0353	0.132	6	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:P[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]P[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]P[5])	O[5](C[5,6a]C[5,6a]C[6a])(P[5]O[5]MoF)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]P[5]){1|Mo<6>,1|C<3>,1|F<1>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]P[5]){1|Mo<6>,1|C<3>,1|F<1>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(P[5]O[5]MoF){1|H<1>,2|C<3>}	111.6500	0.126	2	111.6500	0.016	2	112.0353	0.132	6	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:P[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]P[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]P[5])	O[5](C[5,6a]C[5,6a]C[6a])(P[5]O[5]SS)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]P[5]){1|C<3>,2|H<1>,2|S<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]P[5]){1|C<3>,2|H<1>,2|S<1>}	O[5](C[5,6a]C[5,6a]C[6a])(P[5]O[5]SS){1|H<1>,2|C<3>}	112.3935	0.139	2	112.3935	0.019	2	112.0353	0.132	6	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:Si[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]Si[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]Si[5])	O[5](C[5,6a]C[5,6a]C[6a])(Si[5]O[5]NiN)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]Si[5]){1|Ni<5>,1|C<3>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]Si[5]){1|Ni<5>,1|C<3>,1|N<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(Si[5]O[5]NiN){1|H<1>,2|C<3>}	113.2880	0.550	2	113.2880	0.303	2	113.2880	0.303	2	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[5,6]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]C)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(S[5]C[5,6])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2S[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]C)(O[5]C[5,6]){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(S[5]C[5,6]){2|C<4>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2S[5]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	116.0810	0.187	2	116.0810	0.035	2	116.0810	0.035	2	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[6,6a]C[6,6,6a]C[6,6a])(C[5,6a]C[6a]O[5])(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[6,6a]C[6,6,6a]C[6,6a])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|C<4>,3|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	110.0723	0.440	3	110.0700	0.129	4	109.7932	0.143	23	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[6,6a]C[6,6,6a]C[6,6a])(C[5,6a]C[6a]O[5])(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){2|H<1>,3|C<3>}	C[5,6a](C[6,6a]C[6,6,6a]C[6,6a])(C[5,6a]C[6a]O[5])(O[5]C[5]){3|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	110.0630	0.000	1	110.0700	0.129	4	109.7932	0.143	23	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	C[5,6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[5,6a]C[6a]O[5])(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){2|H<1>,3|C<3>}	C[5,6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[5,6a]C[6a]O[5])(O[5]C[5]){3|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.2715	0.035	2	109.2715	0.001	2	109.7932	0.143	23	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]C)(O[5]C[5])	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|C<4>,2|C<3>}	109.4740	0.000	1	109.9285	0.413	2	109.7932	0.143	23	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]C)(O[5]C[5])	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|C<4>,2|C<3>}	110.3830	0.000	1	109.9285	0.413	2	109.7932	0.143	23	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	110.0508	0.257	5	109.7739	0.111	14	109.7932	0.143	23	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|C<3>,1|C<4>,1|N<4>,5|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.7440	0.000	1	109.7739	0.111	14	109.7932	0.143	23	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.3840	0.000	1	109.7739	0.111	14	109.7932	0.143	23	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.7755	0.460	2	109.7739	0.111	14	109.7932	0.143	23	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.7380	0.331	2	109.7739	0.111	14	109.7932	0.143	23	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|N<3>,2|C<3>,5|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.4750	0.147	3	109.7739	0.111	14	109.7932	0.143	23	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[6,6a]C[6,6a]N[6])(C[5,6a]C[6a]O[5])(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	C[5,6a](C[6,6a]C[6,6a]N[6])(C[5,6a]C[6a]O[5])(O[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.7290	0.000	1	109.7290	0.000	1	109.7932	0.143	23	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[5,6a]C[6a]O[5])(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[5,6a]C[6a]O[5])(O[5]C[5]){3|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	110.2820	0.652	2	109.5120	0.912	6	109.7875	0.912	8	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5,6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[5,6a]C[6a]O[5])(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){2|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[5,6a]C[6a]O[5])(O[5]C[5]){3|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	109.1270	0.887	4	109.5120	0.912	6	109.7875	0.912	8	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]O[5])(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]O[5])(O[5]C[5]){3|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	110.5690	0.000	1	110.5690	0.000	1	109.7875	0.912	8	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[5,6a]C[6a]O[5])(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	C[5,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[5,6a]C[6a]O[5])(O[5]C[5]){3|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|H<1>,2|C<3>}	110.6590	0.000	1	110.6590	0.000	1	109.7875	0.912	8	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5,5])	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(O[5]C[5,5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]3)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5,5]){2|O<2>,3|C<3>}	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(O[5]C[5,5]){1|H<1>,2|O<2>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]3){1|H<1>,4|C<3>}	108.0644	0.594	10	108.0644	0.353	10	108.0644	0.353	10	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[6,6a]C[6,6,6a]C[6,6a])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]HH)	C[5,6a](C[6,6a]C[6,6,6a]C[6,6a])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]HH){3|C<3>}	109.0177	0.376	3	108.8487	0.208	4	109.8353	0.498	23	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[6,6a]C[6,6,6a]C[6,6a])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]HH)	C[5,6a](C[6,6a]C[6,6,6a]C[6,6a])(C[5,6a]C[6a]O[5])(O[5]C[5]){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){2|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]HH){3|C<3>}	108.3420	0.000	1	108.8487	0.208	4	109.8353	0.498	23	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]HH)	C[5,6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[5,6a]C[6a]O[5])(O[5]C[5]){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){2|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]HH){3|C<3>}	108.7050	0.127	2	108.7050	0.016	2	109.8353	0.498	23	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]C)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]HH)	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]HH){1|C<4>,2|C<3>}	109.8340	0.000	1	110.0470	0.091	2	109.8353	0.498	23	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]C)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]HH)	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]HH){1|C<4>,2|C<3>}	110.2600	0.000	1	110.0470	0.091	2	109.8353	0.498	23	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]HH)	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]HH){1|C<4>,2|C<3>}	110.2312	0.239	5	110.1903	0.097	14	109.8353	0.498	23	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]HH)	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|C<3>,1|C<4>,1|N<4>,5|H<1>}	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]HH){1|C<4>,2|C<3>}	110.4010	0.000	1	110.1903	0.097	14	109.8353	0.498	23	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]HH)	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]HH){1|C<4>,2|C<3>}	109.8790	0.000	1	110.1903	0.097	14	109.8353	0.498	23	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]HH)	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]HH){1|C<4>,2|C<3>}	109.7005	0.012	2	110.1903	0.097	14	109.8353	0.498	23	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]HH)	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]HH){1|C<4>,2|C<3>}	110.2395	0.418	2	110.1903	0.097	14	109.8353	0.498	23	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]HH)	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|N<3>,2|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]HH){1|C<4>,2|C<3>}	110.4493	0.110	3	110.1903	0.097	14	109.8353	0.498	23	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[6,6a]C[6,6a]N[6])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]HH)	C[5,6a](C[6,6a]C[6,6a]N[6])(C[5,6a]C[6a]O[5])(O[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]HH){1|N<3>,2|C<3>}	110.6480	0.000	1	110.6480	0.000	1	109.8353	0.498	23	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]HH)	C[5,6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[5,6a]C[6a]O[5])(O[5]C[5]){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]HH){3|C<3>}	109.5450	0.195	2	108.9423	0.313	6	109.0334	0.260	8	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]HH)	C[5,6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[5,6a]C[6a]O[5])(O[5]C[5]){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){2|H<1>,3|C<3>}	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]HH){3|C<3>}	108.6410	0.381	4	108.9423	0.313	6	109.0334	0.260	8	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]O[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]HH)	C[5,6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]O[5])(O[5]C[5]){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|H<1>,3|C<3>}	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]HH){3|C<3>}	109.4780	0.000	1	109.4780	0.000	1	109.0334	0.260	8	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]HH)	C[5,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[5,6a]C[6a]O[5])(O[5]C[5]){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]HH){3|C<3>}	109.1350	0.000	1	109.1350	0.000	1	109.0334	0.260	8	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]O[5])(O[5]C[5])	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]O[5])(O[5]C[5])	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]CC)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]O[5])(O[5]C[5]){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]O[5])(O[5]C[5]){1|H<1>,2|C<4>,4|C<3>}	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]CC){3|C<3>}	110.9195	0.304	6	110.9195	0.093	6	110.9942	0.118	8	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]O[5])(O[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]O[5])(O[5]C[5])	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]CC)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]O[5])(O[5]C[5]){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]O[5])(O[5]C[5]){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]CC){3|C<3>}	111.2185	0.482	2	111.2185	0.232	2	110.9942	0.118	8	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5,5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]3)	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(O[5]C[5,5]){1|H<1>,2|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5,5]){2|O<2>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]3){5|C<3>}	108.5134	0.465	10	108.5134	0.216	10	108.5134	0.216	10	109.7772	0.545	1594	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:5:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:Ge[5,5]-5:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]Ge[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]Ge[5,5])	O[5](C[5,6a]C[5,6a]C[6a])(Ge[5,5]C[5]O[5]3)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]Ge[5,5]){2|Cl<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]Ge[5,5]){2|Cl<1>,2|C<3>,2|O<2>}	O[5](C[5,6a]C[5,6a]C[6a])(Ge[5,5]C[5]O[5]3){1|Cl<1>,2|N<3>,4|C<3>}	115.9640	0.105	4	115.9640	0.011	4	115.9640	0.011	4	112.7284	2.105	38	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:5:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:Ge[5]-5:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]Ge[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]Ge[5])	O[5](C[5,6a]C[5,6a]C[6a])(Ge[5]C[5]O[5]Cl2)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]Ge[5]){2|Cl<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]Ge[5]){2|Cl<1>,2|C<3>,2|C<4>}	O[5](C[5,6a]C[5,6a]C[6a])(Ge[5]C[5]O[5]Cl2){1|C<4>,2|C<3>,2|N<3>}	114.4200	0.000	1	114.4200	0.000	1	114.9540	0.570	2	112.7284	2.105	38	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:5:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:Ge[5]-5:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]Ge[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]Ge[5])	O[5](C[5,6a]C[5,6a]C[6a])(Ge[5]C[5]O[5]Cl2)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]Ge[5]){2|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]Ge[5]){2|Cl<1>,2|C<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(Ge[5]C[5]O[5]Cl2){1|H<1>,2|C<3>,2|N<3>}	115.4880	0.000	1	115.4880	0.000	1	114.9540	0.570	2	112.7284	2.105	38	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:5:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:P[4,5]-5:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[4,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[4,5])	O[5](C[5,6a]C[5,6a]C[6a])(P[4,5]N[4]2O[5]O)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[4,5]){2|Cl<1>,1|C<3>,1|O<2>,2|N<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[4,5]){2|Cl<1>,1|C<3>,1|O<2>,2|N<3>}	O[5](C[5,6a]C[5,6a]C[6a])(P[4,5]N[4]2O[5]O){1|Cl<1>,1|P<3>,2|C<3>,2|C<4>}	111.8925	0.541	2	111.8925	0.293	2	111.8925	0.293	2	112.7284	2.105	38	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:5:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:P[5,5]-5:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5,5])	O[5](C[5,6a]C[5,6a]C[6a])(P[5,5]O[5]3C)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5,5]){2|Cl<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5,5]){2|Cl<1>,2|C<3>,2|O<2>}	O[5](C[5,6a]C[5,6a]C[6a])(P[5,5]O[5]3C){1|Cl<1>,4|C<3>}	111.8197	0.340	4	111.8197	0.115	4	111.8197	0.115	4	112.7284	2.105	38	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:5:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:P[5,6]-5:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5,6])	O[5](C[5,6a]C[5,6a]C[6a])(P[5,6]O[5]O[6]2N)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5,6]){2|Cl<1>,1|C<3>,1|N<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5,6]){2|Cl<1>,1|C<3>,1|N<3>,2|O<2>}	O[5](C[5,6a]C[5,6a]C[6a])(P[5,6]O[5]O[6]2N){1|Cl<1>,2|C<3>,2|C<4>}	112.3770	0.871	2	112.3770	0.759	2	112.3770	0.759	2	112.7284	2.105	38	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:5:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:P[5]-5:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5])	O[5](C[5,6a]C[5,6a]C[6a])(P[5]C[6a]O[5]OO)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5]){2|Cl<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5]){2|Cl<1>,2|C<3>,2|O<2>}	O[5](C[5,6a]C[5,6a]C[6a])(P[5]C[6a]O[5]OO){1|Cl<1>,4|C<3>}	111.7120	0.867	2	111.7120	0.752	2	111.5985	0.781	8	112.7284	2.105	38	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:5:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:P[5]-5:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5])	O[5](C[5,6a]C[5,6a]C[6a])(P[5]O[5]NOO)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5]){2|Cl<1>,1|C<3>,1|N<2>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5]){2|Cl<1>,1|C<3>,1|N<2>,2|O<2>}	O[5](C[5,6a]C[5,6a]C[6a])(P[5]O[5]NOO){1|Cl<1>,2|C<3>}	111.0270	1.693	2	111.5607	0.937	6	111.5985	0.781	8	112.7284	2.105	38	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:5:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:P[5]-5:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5])	O[5](C[5,6a]C[5,6a]C[6a])(P[5]O[5]NOO)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5]){2|Cl<1>,1|C<3>,1|N<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5]){2|Cl<1>,1|C<3>,1|N<3>,2|O<2>}	O[5](C[5,6a]C[5,6a]C[6a])(P[5]O[5]NOO){1|Cl<1>,2|C<3>}	111.8275	0.567	4	111.5607	0.937	6	111.5985	0.781	8	112.7284	2.105	38	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:5:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:Si[5,5]-5:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Br)(O[5]Si[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Br)(O[5]Si[5,5])	O[5](C[5,6a]C[5,6a]C[6a])(Si[5,5]O[5]3O)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Br)(O[5]Si[5,5]){2|Br<1>,1|C<3>,3|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Br)(O[5]Si[5,5]){2|Br<1>,1|C<3>,3|O<2>}	O[5](C[5,6a]C[5,6a]C[6a])(Si[5,5]O[5]3O){1|Br<1>,4|C<3>}	112.5461	0.616	8	112.5461	0.379	8	112.5819	0.209	16	112.7284	2.105	38	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:5:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:Si[5,5]-5:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]F)(O[5]Si[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]F)(O[5]Si[5,5])	O[5](C[5,6a]C[5,6a]C[6a])(Si[5,5]O[5]3O)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]F)(O[5]Si[5,5]){1|C<3>,2|F<1>,3|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]F)(O[5]Si[5,5]){1|C<3>,2|F<1>,3|O<2>}	O[5](C[5,6a]C[5,6a]C[6a])(Si[5,5]O[5]3O){1|F<1>,4|C<3>}	112.6178	0.256	8	112.6178	0.066	8	112.5819	0.209	16	112.7284	2.105	38	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:6:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:Ga[3x5]-6:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]Ga[3x5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]Ga[3x5])	O[5](C[5,6a]C[5,6a]C[6a])(Ga[3x5]O[5]5)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]Ga[3x5]){1|C<3>,2|H<1>,4|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]Ga[3x5]){1|C<3>,2|C<4>,4|O<2>}	O[5](C[5,6a]C[5,6a]C[6a])(Ga[3x5]O[5]5){1|C<4>,6|C<3>}	115.8742	0.541	6	115.8742	0.292	6	116.2139	0.484	12	113.8393	3.244	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:6:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:Ga[3x5]-6:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]Ga[3x5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]Ga[3x5])	O[5](C[5,6a]C[5,6a]C[6a])(Ga[3x5]O[5]5)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]Ga[3x5]){1|C<3>,2|C<4>,4|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]Ga[3x5]){1|C<3>,2|H<1>,4|O<2>}	O[5](C[5,6a]C[5,6a]C[6a])(Ga[3x5]O[5]5){1|H<1>,6|C<3>}	116.5537	0.703	6	116.5537	0.495	6	116.2139	0.484	12	113.8393	3.244	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:6:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:In[3x5]-6:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]In[3x5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]In[3x5])	O[5](C[5,6a]C[5,6a]C[6a])(In[3x5]O[5]5)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]In[3x5]){1|C<3>,1|C<4>,1|H<1>,4|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]In[3x5]){1|C<3>,1|C<4>,1|H<1>,4|O<2>}	O[5](C[5,6a]C[5,6a]C[6a])(In[3x5]O[5]5){1|C<4>,6|C<3>}	116.7397	0.837	18	116.7397	0.701	18	116.7397	0.701	18	113.8393	3.244	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:6:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:In[5]-6:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]In[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]In[5])	O[5](C[5,6a]C[5,6a]C[6a])(In[5]N[6]3O[5]Cl)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]In[5]){3|Cl<1>,1|C<3>,3|N<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]In[5]){3|Cl<1>,1|C<3>,3|N<3>}	O[5](C[5,6a]C[5,6a]C[6a])(In[5]N[6]3O[5]Cl){1|Cl<1>,8|C<3>}	119.0405	0.804	2	119.0405	0.646	2	119.0405	0.646	2	113.8393	3.244	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:6:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:P[3x5]-6:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[3x5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[3x5])	O[5](C[5,6a]C[5,6a]C[6a])(P[3x5]O[5]5)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[3x5]){2|Cl<1>,1|C<3>,4|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[3x5]){2|Cl<1>,1|C<3>,4|O<2>}	O[5](C[5,6a]C[5,6a]C[6a])(P[3x5]O[5]5){1|Cl<1>,6|C<3>}	113.0291	1.049	74	113.0291	1.100	74	112.9447	0.830	102	113.8393	3.244	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:6:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:P[3x5]-6:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]P[3x5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]P[3x5])	O[5](C[5,6a]C[5,6a]C[6a])(P[3x5]O[5]5)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]P[3x5]){1|C<3>,2|H<1>,4|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]P[3x5]){1|C<3>,2|H<1>,4|O<2>}	O[5](C[5,6a]C[5,6a]C[6a])(P[3x5]O[5]5){1|H<1>,6|C<3>}	112.7214	0.244	28	112.7214	0.059	28	112.9447	0.830	102	113.8393	3.244	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:6:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:Si[3x5]-6:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]Si[3x5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]Si[3x5])	O[5](C[5,6a]C[5,6a]C[6a])(Si[3x5]O[5]5)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]Si[3x5]){1|C<3>,2|H<1>,4|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]Si[3x5]){1|C<3>,2|H<1>,4|O<2>}	O[5](C[5,6a]C[5,6a]C[6a])(Si[3x5]O[5]5){1|H<1>,6|C<3>}	113.7885	0.318	6	113.7885	0.101	6	113.7885	0.101	6	113.8393	3.244	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:6:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:Si[5,5]-6:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Br)(O[5]Si[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Br)(O[5]Si[5,5])	O[5](C[5,6a]C[5,6a]C[6a])(Si[5,5]O[5]3OO)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Br)(O[5]Si[5,5]){2|Br<1>,1|C<3>,4|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Br)(O[5]Si[5,5]){2|Br<1>,1|C<3>,4|O<2>}	O[5](C[5,6a]C[5,6a]C[6a])(Si[5,5]O[5]3OO){1|Br<1>,4|C<3>}	114.0675	0.439	2	114.0675	0.193	2	114.0675	0.193	2	113.8393	3.244	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	3:7:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:Nb[3x5]-7:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]Nb[3x5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]Nb[3x5])	O[5](C[5,6a]C[5,6a]C[6a])(Nb[3x5]N[6]O[5]5)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]Nb[3x5]){1|C<3>,1|N<3>,2|H<1>,4|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]Nb[3x5]){1|C<3>,1|N<3>,2|H<1>,4|O<2>}	O[5](C[5,6a]C[5,6a]C[6a])(Nb[3x5]N[6]O[5]5){1|H<1>,8|C<3>}	113.7958	0.470	6	113.7958	0.221	6	113.7958	0.221	6	113.7958	0.221	6	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	5:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	Ga[3x5]-5:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]Cl)(O[5]Ga[3x5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]Cl)(O[5]Ga[3x5])	O[5](Ga[3x5]N[5,5]N[5]2O[5])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]Cl)(O[5]Ga[3x5]){1|Cl<1>,1|C<3>,1|O<2>,3|N<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]Cl)(O[5]Ga[3x5]){1|Cl<1>,1|C<3>,1|O<2>,3|N<4>}	O[5](Ga[3x5]N[5,5]N[5]2O[5])(C[5,6a]C[5,6a]C[6a]){1|Cl<1>,2|C<3>,4|H<1>,5|C<4>}	118.0705	1.515	2	118.0705	2.296	2	118.0705	2.296	2	112.6474	4.808	16	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	5:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	P[3,5]-5:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[3,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[3,5])	O[5](P[3,5]C[6a]C[3]2O[5])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[3,5]){2|Cl<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[3,5]){2|Cl<1>,4|C<3>}	O[5](P[3,5]C[6a]C[3]2O[5])(C[5,6a]C[5,6a]C[6a]){1|Cl<1>,6|C<3>}	112.1505	0.145	2	112.1505	0.021	2	112.1505	0.021	2	112.6474	4.808	16	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	5:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	P[5,5]-5:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5,5])	O[5](P[5,5]C[5,5a]2C[6a]O[5])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5,5]){2|Cl<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5,5]){2|Cl<1>,4|C<3>}	O[5](P[5,5]C[5,5a]2C[6a]O[5])(C[5,6a]C[5,6a]C[6a]){1|Cl<1>,8|C<3>}	111.4447	0.470	4	111.4447	0.221	4	111.4447	0.221	4	112.6474	4.808	16	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	5:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	P[5,6,6]-5:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5,6,6])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5,6,6])	O[5](P[5,6,6]N[6,6]N[6]2O[5])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5,6,6]){2|Cl<1>,1|C<3>,3|N<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5,6,6]){2|Cl<1>,1|C<3>,3|N<3>}	O[5](P[5,6,6]N[6,6]N[6]2O[5])(C[5,6a]C[5,6a]C[6a]){1|Cl<1>,1|P<4>,2|C<3>,2|P<3>,3|C<4>}	111.7285	0.350	2	111.7285	0.123	2	111.7285	0.123	2	112.6474	4.808	16	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	5:3:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	P[5,5]-5:C[5,6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]O[5])(O[5]P[5,5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]O[5])(O[5]P[5,5])	O[5](P[5,5]C[5,5a]2C[6a]O[5])(C[5,6a]C[6a,6a]C[5,6a])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]O[5])(O[5]P[5,5]){1|H<1>,7|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]O[5])(O[5]P[5,5]){1|H<1>,7|C<3>}	O[5](P[5,5]C[5,5a]2C[6a]O[5])(C[5,6a]C[6a,6a]C[5,6a]){9|C<3>}	112.1133	0.321	6	112.1133	0.103	6	112.1133	0.103	6	112.6474	4.808	16	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	6:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	In[3x5]-6:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]In[3x5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]In[3x5])	O[5](In[3x5]N[5,6]2O[5]3)(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]In[3x5]){1|C<3>,1|C<4>,1|H<1>,2|N<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]In[3x5]){1|C<3>,1|C<4>,1|H<1>,2|N<3>,2|O<2>}	O[5](In[3x5]N[5,6]2O[5]3)(C[5,6a]C[5,6a]C[6a]){1|C<4>,8|C<3>}	117.3738	0.614	4	117.3738	0.377	4	117.3738	0.377	4	115.3333	5.768	8	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	6:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	P[3x5]-6:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[3x5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[3x5])	O[5](P[3x5]N[5,5,6]N[5,6]2C[6a]O[5])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[3x5]){2|Cl<1>,2|C<3>,3|N<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[3x5]){2|Cl<1>,2|C<3>,3|N<3>}	O[5](P[3x5]N[5,5,6]N[5,6]2C[6a]O[5])(C[5,6a]C[5,6a]C[6a]){10|C<3>,1|Cl<1>}	112.1175	0.260	2	112.1175	0.067	2	112.1175	0.067	2	115.3333	5.768	8	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:2:	6:3:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	Si[3x5]-6:C[5,6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]O[5])(O[5]Si[3x5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]O[5])(O[5]Si[3x5])	O[5](Si[3x5]N[5,6a]2N[5,6]2O[5])(C[5,6a]C[6a,6a]C[5,6a])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]O[5])(O[5]Si[3x5]){1|H<1>,4|C<3>,4|N<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]O[5])(O[5]Si[3x5]){1|H<1>,4|C<3>,4|N<3>}	O[5](Si[3x5]N[5,6a]2N[5,6]2O[5])(C[5,6a]C[6a,6a]C[5,6a]){11|C<3>}	114.4680	0.588	2	114.4680	0.346	2	114.4680	0.346	2	115.3333	5.768	8	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|H<1>,3|C<3>}	111.2570	0.000	1	111.0047	0.389	3	111.0047	0.389	3	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|H<1>,3|C<3>}	110.2940	0.000	1	111.0047	0.389	3	111.0047	0.389	3	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|H<1>,3|C<3>}	111.4630	0.000	1	111.0047	0.389	3	111.0047	0.389	3	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]C){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|H<1>,3|C<3>}	112.1865	0.197	2	112.1865	0.039	2	112.3118	0.729	31	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(C[5]C[5]O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(O[5]C[5]){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(C[5]C[5]O){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|H<1>,1|O<2>,2|C<3>}	110.4150	0.000	1	110.4150	0.000	1	112.3118	0.729	31	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(C[5]C[6a]C[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(O[5]C[5]){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(C[5]C[6a]C[5]){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|H<1>,3|C<3>}	110.1930	0.000	1	110.1930	0.000	1	112.3118	0.729	31	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a]C[6a])(C[5]C[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5]){1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a]C[6a])(C[5]C[5]C){1|C<2>,1|H<1>,1|O<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|C<2>,3|C<3>}	112.6250	0.000	1	112.6250	0.000	1	112.3118	0.729	31	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|H<1>,3|C<3>}	112.3080	0.147	2	111.9959	0.322	14	112.3118	0.729	31	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|H<1>,3|C<3>}	110.8600	0.000	1	111.9959	0.322	14	112.3118	0.729	31	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|H<1>,3|C<3>}	112.5020	0.000	1	111.9959	0.322	14	112.3118	0.729	31	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|H<1>,3|C<3>}	111.9002	0.536	8	111.9959	0.322	14	112.3118	0.729	31	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|H<1>,3|C<3>}	112.3815	0.189	2	111.9959	0.322	14	112.3118	0.729	31	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|H<1>,2|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C){1|H<1>,1|O<1>,2|C<3>}	112.9720	0.000	2	112.9138	0.097	11	112.3118	0.729	31	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|F<1>,1|H<1>,2|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C){1|H<1>,1|O<1>,2|C<3>}	113.4090	0.000	1	112.9138	0.097	11	112.3118	0.729	31	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|H<1>,1|O<2>,2|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C){1|H<1>,1|O<1>,2|C<3>}	113.2990	0.000	1	112.9138	0.097	11	112.3118	0.729	31	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C){1|H<1>,1|O<1>,2|C<3>}	112.7714	0.268	7	112.9138	0.097	11	112.3118	0.729	31	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|H<1>,1|O<2>,2|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C){1|O<1>,1|O<2>,2|C<3>}	114.0650	0.000	1	114.0650	0.000	1	112.3118	0.729	31	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]N[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]N[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]N[5]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	O[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O){1|C<4>,1|H<1>,2|C<3>}	110.7640	0.000	1	110.7640	0.000	1	110.7640	0.000	1	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(N[5]C[5]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|Ir<8>,1|C<3>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(N[5]C[5]H){1|Ir<8>,1|C<3>,1|H<1>,1|O<2>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir){2|C<3>,2|H<1>}	105.1540	0.000	1	105.1540	0.000	1	108.2555	0.363	133	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(N[5]C[5]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(O[5]C[5]){1|Ir<8>,1|C<3>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(N[5]C[5]H){1|Ir<8>,1|C<3>,1|H<1>,1|O<2>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir){2|C<3>,2|H<1>}	107.6360	0.000	1	107.6360	0.000	1	108.2555	0.363	133	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(N[5]C[5]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(O[5]C[5]){1|S<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(N[5]C[5]H){1|H<1>,1|S<1>,2|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S){2|C<3>,2|H<1>}	108.1450	0.000	1	108.1450	0.000	1	108.2555	0.363	133	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Co)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]C[5]){1|Co<6>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Co){2|C<3>,2|C<4>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C){1|Co<6>,1|C<4>,2|C<3>}	107.4290	0.592	4	107.4290	0.350	4	108.2555	0.363	133	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]C[5]){1|Cu<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Cu){2|C<3>,2|C<4>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Cu<4>,1|C<4>,4|C<3>}	107.9020	0.000	1	107.9020	0.000	1	108.2555	0.363	133	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]C[5]){1|Ni<6>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ni){2|C<3>,2|C<4>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Ni<6>,1|C<4>,4|C<3>}	107.8180	0.013	2	107.8180	0.000	2	108.2555	0.363	133	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(N[5]C[5]Al)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Al<4>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(N[5]C[5]Al){2|C<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C){1|Al<4>,1|H<1>,2|C<3>}	108.8390	0.202	2	108.8390	0.041	2	108.2555	0.363	133	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(N[5]C[5]Mg)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Mg<4>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(N[5]C[5]Mg){2|C<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C){1|Mg<4>,1|H<1>,2|C<3>}	108.2621	0.096	11	108.2621	0.009	11	108.2555	0.363	133	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Al)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Al<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Al){2|C<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Al<4>,1|H<1>,4|C<3>}	107.9038	0.084	4	107.9038	0.007	4	108.2555	0.363	133	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Al)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Al<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Al){2|C<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C){1|Al<4>,1|H<1>,2|C<3>}	108.0155	0.029	2	108.1985	0.088	4	108.2555	0.363	133	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Al)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Al<6>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Al){2|C<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C){1|Al<6>,1|H<1>,2|C<3>}	108.3815	0.359	2	108.1985	0.088	4	108.2555	0.363	133	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Be)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Be<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Be){2|C<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Be<4>,1|H<1>,4|C<3>}	108.2955	0.060	2	108.2955	0.004	2	108.2555	0.363	133	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C){1|C<4>,1|H<1>,2|C<3>}	108.8320	0.000	1	108.8320	0.000	1	108.2555	0.363	133	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Re)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Re<6>,1|C<3>,1|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Re<6>,1|C<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Re){1|C<4>,1|H<1>,2|C<3>}	108.2860	0.000	1	108.2860	0.000	1	108.2555	0.363	133	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Co)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Co<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<4>,1|H<1>,2|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C){1|Co<4>,1|H<1>,2|C<3>}	108.7780	0.000	1	108.8983	0.020	3	108.2555	0.363	133	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Co)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Co<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Co){2|C<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C){1|Co<4>,1|H<1>,2|C<3>}	108.9585	0.132	2	108.8983	0.020	3	108.2555	0.363	133	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Cr)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Cr<6>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Cr){1|C<4>,1|H<1>,2|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]){1|Cr<6>,1|H<1>,1|N<3>,3|C<3>}	108.7380	0.000	1	108.7380	0.000	1	108.2555	0.363	133	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Cu<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Cu){2|C<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]){1|Cu<4>,1|H<1>,1|N<3>,3|C<3>}	107.7475	0.433	4	107.7475	0.188	4	108.2555	0.363	133	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Cu<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Cu){2|C<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Cu<4>,1|H<1>,4|C<3>}	108.5725	0.013	2	108.5725	0.000	2	108.2555	0.363	133	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N){2|C<3>,2|H<1>}	108.4210	0.278	3	108.4210	0.077	3	108.2555	0.363	133	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Pd<4>,1|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Pd<4>,1|C<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd){2|C<3>,2|H<1>}	108.3870	0.000	1	108.3870	0.000	1	108.2555	0.363	133	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Re)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Re<6>,1|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Re<6>,1|C<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Re){2|C<3>,2|H<1>}	107.3460	0.000	1	107.3460	0.000	1	108.2555	0.363	133	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|N<3>,1|S<1>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|S<1>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S){2|C<3>,2|H<1>}	108.7940	0.000	1	108.0210	0.480	3	108.2555	0.363	133	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|S<1>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|S<1>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S){2|C<3>,2|H<1>}	107.4560	0.000	1	108.0210	0.480	3	108.2555	0.363	133	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|S<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|S<2>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S){2|C<3>,2|H<1>}	107.8130	0.000	1	108.0210	0.480	3	108.2555	0.363	133	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ir<6>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ir){2|C<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]){1|Ir<6>,1|H<1>,1|N<3>,3|C<3>}	108.1950	0.000	1	108.1950	0.000	1	108.2555	0.363	133	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ir<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ir){2|C<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Ir<4>,1|H<1>,4|C<3>}	108.5540	0.190	2	108.5318	0.474	29	108.2555	0.363	133	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ir<5>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ir){2|C<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Ir<5>,1|H<1>,4|C<3>}	109.0715	0.118	2	108.5318	0.474	29	108.2555	0.363	133	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ir<6>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ir){1|C<4>,1|H<1>,2|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Ir<6>,1|H<1>,4|C<3>}	108.2852	0.459	4	108.5318	0.474	29	108.2555	0.363	133	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ir<6>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ir){2|C<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Ir<6>,1|H<1>,4|C<3>}	108.4310	0.700	13	108.5318	0.474	29	108.2555	0.363	133	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ir<7>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ir){2|C<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Ir<7>,1|H<1>,4|C<3>}	108.6115	1.046	6	108.5318	0.474	29	108.2555	0.363	133	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ir<8>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ir){1|C<4>,1|H<1>,2|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Ir<8>,1|H<1>,4|C<3>}	108.8790	0.123	2	108.5318	0.474	29	108.2555	0.363	133	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Li)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Li<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Li){2|C<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C){1|Li<4>,1|H<1>,2|C<3>}	107.7655	0.248	2	107.7655	0.062	2	108.2555	0.363	133	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Mn)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Mn<6>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Mn){2|C<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]){1|Mn<6>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	108.4530	0.423	2	108.4530	0.179	2	108.2555	0.363	133	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ni<6>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ni){2|C<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]){1|Ni<6>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	108.7300	0.000	1	108.7300	0.000	1	108.2555	0.363	133	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ni<5>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ni){2|C<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]){1|Ni<5>,1|H<1>,1|N<3>,3|C<3>}	108.0737	0.369	3	108.1250	0.156	5	108.2555	0.363	133	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ni<6>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ni){1|C<4>,1|H<1>,2|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]){1|Ni<6>,1|H<1>,1|N<3>,3|C<3>}	108.6100	0.000	1	108.1250	0.156	5	108.2555	0.363	133	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ni<6>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ni){2|C<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]){1|Ni<6>,1|H<1>,1|N<3>,3|C<3>}	107.7940	0.000	1	108.1250	0.156	5	108.2555	0.363	133	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Os)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Os<6>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Os){2|C<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Os<6>,1|H<1>,4|C<3>}	108.6460	0.288	7	108.6460	0.083	7	108.2555	0.363	133	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Pd)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Pd<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Pd){2|C<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Pd<4>,1|H<1>,4|C<3>}	107.7640	0.000	1	107.7640	0.000	1	108.2555	0.363	133	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Pd)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Pd){1|C<3>,1|C<4>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C){1|Pd<4>,1|H<1>,2|C<3>}	108.4170	0.000	1	108.4170	0.000	1	108.2555	0.363	133	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Pt)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Pt<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Pt){2|C<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Pt<4>,1|H<1>,1|N<2>,3|C<3>}	107.6610	0.000	1	107.6610	0.000	1	108.2555	0.363	133	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Pt)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Pt){1|C<3>,1|H<1>,2|C<4>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C){1|Pt<4>,1|H<1>,2|C<3>}	108.8390	0.000	1	108.8390	0.000	1	108.2555	0.363	133	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Pt)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Pt<4>,1|C<3>,1|S<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Pt){1|C<3>,1|S<2>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S){1|Pt<4>,1|H<1>,2|C<3>}	108.2450	0.638	6	108.2631	0.342	7	108.2555	0.363	133	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Pt)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Pt<5>,1|C<3>,1|S<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Pt){1|C<3>,1|S<2>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S){1|Pt<5>,1|H<1>,2|C<3>}	108.3720	0.000	1	108.2631	0.342	7	108.2555	0.363	133	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Re)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Re<6>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Re){2|C<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Re<6>,1|H<1>,4|C<3>}	108.4770	0.833	2	108.4770	0.694	2	108.2555	0.363	133	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Re)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Re<6>,1|C<3>,1|S<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Re){1|C<3>,1|S<2>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S){1|Re<6>,1|H<1>,2|C<3>}	107.8280	0.000	1	107.8280	0.000	1	108.2555	0.363	133	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ru<6>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ru){2|C<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Ru<6>,1|H<1>,4|C<3>}	108.4220	0.000	1	108.4220	0.000	1	108.2555	0.363	133	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ru<6>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ru){2|C<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C){1|Ru<6>,1|H<1>,2|C<3>}	108.4878	0.166	4	108.4647	0.019	6	108.2555	0.363	133	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ru<9>,1|C<3>,1|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|C<3>,1|C<4>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C){1|Ru<9>,1|H<1>,2|C<3>}	108.4185	0.073	2	108.4647	0.019	6	108.2555	0.363	133	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Zn<4>,1|C<3>,1|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Zn){1|C<3>,1|C<4>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C){1|Zn<4>,1|H<1>,2|C<3>}	108.1380	0.184	5	108.1380	0.034	5	108.2555	0.363	133	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Zn<4>,1|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Zn){1|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H){1|Zn<4>,1|H<1>,2|C<3>}	107.8025	0.279	4	107.8025	0.078	4	108.2555	0.363	133	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]N)(N[5]C[5]Co)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Co<6>,1|C<3>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]N)(N[5]C[5]Co){1|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H){1|Co<6>,1|H<1>,2|C<3>}	107.4180	0.000	1	107.4180	0.000	1	108.2555	0.363	133	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]N)(N[5]C[5]Ni)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ni<6>,1|C<3>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]N)(N[5]C[5]Ni){1|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H){1|Ni<6>,1|H<1>,2|C<3>}	107.6370	0.000	1	107.6370	0.000	1	108.2555	0.363	133	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(O[5]C[5]){1|Ru<6>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|C<4>,1|N<3>,2|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Ru<6>,1|N<3>,4|C<3>}	109.0920	0.000	1	109.0920	0.000	1	108.2555	0.363	133	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-3:	C[5,6a]-3:B[5]-3:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]B[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]B[5]Zr)	O[5](C[5,6a]C[5,6a]C[6a])(B[5]O[5]H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]B[5]){1|Zr<6>,1|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]B[5]Zr){1|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(B[5]O[5]H){1|Zr<6>,1|H<1>,2|C<3>}	109.8470	0.000	1	109.8470	0.000	1	109.8470	0.000	1	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|B<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|F<1>,2|H<1>}	O[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a]){1|B<4>,1|H<1>,4|C<3>}	108.0670	0.000	1	108.4806	0.128	12	108.4652	0.120	13	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|B<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	O[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a]){1|B<4>,1|H<1>,4|C<3>}	108.5677	0.237	6	108.4806	0.128	12	108.4652	0.120	13	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|B<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|O<2>}	O[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a]){1|B<4>,1|H<1>,4|C<3>}	108.8080	0.000	1	108.4806	0.128	12	108.4652	0.120	13	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|B<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	O[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a]){1|B<4>,1|H<1>,4|C<3>}	108.2385	0.613	2	108.4806	0.128	12	108.4652	0.120	13	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|B<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	O[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a]){1|B<4>,1|H<1>,4|C<3>}	108.5045	0.554	2	108.4806	0.128	12	108.4652	0.120	13	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	O[5](C[5,6]N[5a,6]N[5,6])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|B<4>,1|C<3>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){2|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	O[5](C[5,6]N[5a,6]N[5,6])(C[5,6a]C[5,6a]C[6a]){1|B<4>,1|H<1>,4|C<3>}	108.2800	0.000	1	108.2800	0.000	1	108.4652	0.120	13	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|B<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|F<1>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]){1|B<4>,2|H<1>,3|C<3>}	108.5018	0.429	6	108.5018	0.184	6	108.7315	0.654	14	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]){2|C<3>,2|C<4>,3|H<1>}	108.2905	1.001	4	108.7090	1.627	5	108.7315	0.654	14	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]){1|C<4>,1|H<1>,4|C<3>}	110.3830	0.000	1	108.7090	1.627	5	108.7315	0.654	14	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]O[6])	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]O[6]){1|Si<5>,1|H<1>,3|C<3>}	109.1805	0.042	2	109.2283	0.008	3	108.7315	0.654	14	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]O[6])	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]O[6]){1|Si<6>,1|H<1>,3|C<3>}	109.3240	0.000	1	109.2283	0.008	3	108.7315	0.654	14	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(N[5]C[5]Ir)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ir<6>,1|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(N[5]C[5]Ir){2|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Ir<6>,1|H<1>,4|C<3>}	109.4710	0.567	2	109.4710	0.322	2	109.4710	0.322	2	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](N[5,5]Ga[5,5]C[5,5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5,5])	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|Ga<5>,2|C<3>,2|H<1>}	C[5,6a](N[5,5]Ga[5,5]C[5,5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){2|Cl<1>,2|C<3>,2|H<1>,2|N<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5,5]){1|Ga<5>,1|H<1>,1|N<3>,3|C<3>}	108.4870	0.178	2	108.4870	0.032	2	108.4870	0.032	2	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[6a]C[6a]H)(O[5]C[5,5a])	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,5a]N[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[6a]C[6a]H)(O[5]C[5,5a]){1|N<2>,2|C<3>,2|H<1>}	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|S<2>,2|H<1>,2|N<2>}	O[5](C[5,5a]N[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a]){1|H<1>,1|S<2>,3|C<3>}	110.1850	0.000	1	110.1850	0.000	1	110.1850	0.000	1	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](N[5,6]B[5,6]C[5,6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|B<4>,2|C<3>,2|H<1>}	C[5,6a](N[5,6]B[5,6]C[5,6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	O[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a]){1|B<4>,1|H<1>,4|C<3>}	108.2610	0.000	1	108.2610	0.000	1	107.8880	0.278	2	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](N[5,6]C[5,6]Ga[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|Ga<4>,2|C<3>,2|H<1>}	C[5,6a](N[5,6]C[5,6]Ga[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a]){1|Ga<4>,1|H<1>,4|C<3>}	107.5150	0.000	1	107.5150	0.000	1	107.8880	0.278	2	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](N[5,6]C[5,6]Ga[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](N[5,6]C[5,6]Ga[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]C){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]){1|Ga<4>,2|H<1>,3|C<3>}	108.4545	0.245	2	108.4545	0.060	2	107.9555	0.352	6	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](N[5,6]C[5,6]Ga[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|Ga<4>,2|C<3>,2|H<1>}	C[5,6a](N[5,6]C[5,6]Ga[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]){1|Ga<4>,2|H<1>,3|C<3>}	107.7060	0.563	4	107.7060	0.317	4	107.9555	0.352	6	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5]){1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|H<1>,1|O<1>,2|C<3>}	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]O){4|C<3>}	113.6740	0.000	1	113.6740	0.000	1	113.6740	0.000	1	108.9945	2.634	210	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,2|C<3>,3|O<2>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	113.2500	0.000	1	113.2500	0.000	1	113.2500	0.000	1	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C){2|C<4>,2|H<1>,3|C<3>}	112.9950	0.000	1	112.9950	0.000	1	113.9786	0.972	5	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	114.2245	0.945	4	114.2245	0.893	4	113.9786	0.972	5	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(O[5]C[5])	C[5,6a](C[5,6a]N[5,6a]S[5])(C[5,6a]C[6a]O[5])(C[5]C[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,1|N<2>,1|N<3>,1|S<2>,2|C<4>}	C[5,6a](C[5,6a]N[5,6a]S[5])(C[5,6a]C[6a]O[5])(C[5]C[5]C){1|C<2>,2|C<4>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC){1|C<2>,3|C<3>}	113.0240	0.000	1	113.0240	0.000	1	113.0240	0.000	1	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5,5]){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5]){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	113.3640	0.000	1	113.3640	0.000	1	114.0364	0.426	22	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5,5]){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]C){1|C<3>,1|H<1>,3|C<4>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	113.0990	0.000	1	113.0990	0.000	1	114.0364	0.426	22	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(O[5]C[5,5]){1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H){2|Cl<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3){1|Cl<1>,1|C<2>,1|O<1>,5|C<3>}	115.0130	0.000	1	115.0130	0.000	1	114.0364	0.426	22	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]C)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	112.9970	0.000	1	112.9970	0.000	1	114.0364	0.426	22	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|O<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]C){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	114.6230	0.000	1	114.6230	0.000	1	114.0364	0.426	22	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2){1|C<4>,1|N<2>,1|O<1>,2|H<1>,5|C<3>}	113.9860	0.000	1	114.0025	0.001	2	114.0364	0.426	22	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2){1|O<1>,2|H<1>,7|C<3>}	114.0190	0.000	1	114.0025	0.001	2	114.0364	0.426	22	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5]){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	114.5725	0.148	2	114.3328	0.087	4	114.0364	0.426	22	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5]){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	114.0930	0.103	2	114.3328	0.087	4	114.0364	0.426	22	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	114.3910	0.000	1	113.9464	0.421	10	114.0364	0.426	22	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	114.0590	0.000	1	113.9464	0.421	10	114.0364	0.426	22	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	113.6100	0.000	1	113.9464	0.421	10	114.0364	0.426	22	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3){1|O<1>,4|H<1>,5|C<3>}	114.2565	0.081	2	113.9464	0.421	10	114.0364	0.426	22	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	114.1780	0.141	2	113.9464	0.421	10	114.0364	0.426	22	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	113.5117	1.133	3	113.9464	0.421	10	114.0364	0.426	22	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5,5]){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]C){1|O<2>,2|C<3>,2|C<4>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3){1|H<1>,2|O<1>,2|O<2>,4|C<3>}	114.9040	0.000	1	114.9040	0.000	1	114.0364	0.426	22	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(O[5]C[5,6]){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]O){2|Cl<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2){1|Cl<1>,1|O<1>,1|O<2>,5|C<3>}	114.6225	0.880	2	114.3677	0.150	21	114.3359	0.148	37	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(O[5]C[5,6]){1|C<4>,1|O<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]O){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2){1|Cl<1>,1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	114.3409	0.341	19	114.3677	0.150	21	114.3359	0.148	37	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]C[6])(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|Cl<1>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]C[6])(C[6a]C[6a]H){1|H<1>,1|I<1>,5|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2){1|H<1>,2|N<3>,2|O<1>,3|C<3>}	113.9210	0.000	1	113.9210	0.000	1	114.3359	0.148	37	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|H<1>,3|C<4>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2){1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	114.6475	0.153	2	114.3925	0.130	13	114.3359	0.148	37	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|H<1>,3|C<4>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	114.4725	0.317	2	114.3925	0.130	13	114.3359	0.148	37	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2){1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	114.0110	0.238	2	114.3925	0.130	13	114.3359	0.148	37	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	114.4395	0.354	4	114.3925	0.130	13	114.3359	0.148	37	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2){2|H<1>,2|O<1>,3|C<3>,3|C<4>}	114.0730	0.246	2	114.3925	0.130	13	114.3359	0.148	37	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	114.9360	0.000	1	114.3925	0.130	13	114.3359	0.148	37	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]S[6]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,1|O<1>,2|H<1>,2|S<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|S<2>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]S[6]2){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	113.9750	0.000	1	113.9750	0.000	1	114.3359	0.148	37	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]O){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	113.7070	0.000	1	113.7070	0.000	1	114.3359	0.148	37	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5]C[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC){1|H<1>,3|C<3>}	113.3770	0.000	1	113.3770	0.000	1	113.3770	0.000	1	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]2)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]2){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2C[5]){1|H<1>,7|C<3>}	113.4510	0.000	1	113.4510	0.000	1	113.8796	0.349	35	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|H<1>,3|C<4>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C){2|H<1>,5|C<3>}	113.4710	0.000	1	113.4710	0.000	1	113.8796	0.349	35	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC){1|H<1>,3|C<3>}	113.2470	0.427	5	113.2470	0.182	5	113.8796	0.349	35	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|N<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN){1|H<1>,3|C<3>}	113.1950	0.000	1	113.1950	0.000	1	113.8796	0.349	35	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){2|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C){1|H<1>,5|C<3>}	113.1210	0.362	4	113.1210	0.131	4	113.8796	0.349	35	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|N<3>,2|C<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N){1|H<1>,5|C<3>}	113.2690	0.000	1	113.2690	0.000	1	113.8796	0.349	35	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	114.1950	0.494	2	114.1950	0.244	2	113.8796	0.349	35	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC){1|H<1>,1|O<1>,2|C<3>}	114.1615	0.233	2	114.2727	0.033	9	113.8796	0.349	35	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC){1|H<1>,1|O<1>,2|C<3>}	114.4010	0.000	1	114.2727	0.033	9	113.8796	0.349	35	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC){1|H<1>,1|O<1>,2|C<3>}	114.3544	0.099	5	114.2727	0.033	9	113.8796	0.349	35	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC){1|H<1>,1|O<1>,2|C<3>}	113.9580	0.000	1	114.2727	0.033	9	113.8796	0.349	35	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|H<1>,1|O<1>,2|C<3>}	113.7530	0.000	1	113.9020	0.044	2	113.8796	0.349	35	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|H<1>,1|O<1>,2|C<3>}	114.0510	0.000	1	113.9020	0.044	2	113.8796	0.349	35	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO){1|H<1>,1|O<1>,2|C<3>}	114.1970	0.000	1	114.1970	0.000	1	113.8796	0.349	35	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]C){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	114.1770	0.074	2	114.1770	0.005	2	113.8796	0.349	35	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	114.0330	0.000	1	114.0330	0.000	1	113.8796	0.349	35	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,4|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){1|H<1>,1|O<1>,2|C<3>}	113.9000	0.000	1	113.9000	0.000	1	113.8796	0.349	35	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<2>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO){1|H<1>,1|O<1>,2|C<3>}	114.3900	0.000	1	114.3900	0.000	1	113.8796	0.349	35	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){2|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2C[5]){1|H<1>,1|O<1>,6|C<3>}	114.4320	0.000	1	114.4320	0.000	1	113.8796	0.349	35	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|N<3>,2|C<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N){1|H<1>,1|O<1>,4|C<3>}	114.4830	0.000	1	114.4830	0.000	1	113.8796	0.349	35	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC){1|O<1>,1|O<2>,2|C<3>}	115.2430	0.000	1	115.2430	0.000	1	113.8796	0.349	35	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]C[5,5]){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,2|C<4>,2|O<2>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]2){2|C<4>,4|C<3>}	109.0960	0.000	1	109.0960	0.000	1	109.0960	0.000	1	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,4|C<4>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC){1|C<4>,1|H<1>,2|C<3>}	109.8160	0.000	1	109.8160	0.000	1	110.6105	0.421	6	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H){1|H<1>,5|C<3>}	111.1760	0.000	1	111.3465	0.058	2	110.6105	0.421	6	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H){1|H<1>,5|C<3>}	111.5170	0.000	1	111.3465	0.058	2	110.6105	0.421	6	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC){1|C<4>,1|H<1>,2|C<3>}	110.3847	0.297	3	110.3847	0.088	3	110.6105	0.421	6	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Ga[5]-4:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]Ga[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]Ga[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(Ga[5]N[5]CC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]Ga[5]){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]Ga[5]C){1|C<3>,4|C<4>}	O[5](C[5,6a]C[5,6a]C[6a])(Ga[5]N[5]CC){1|C<4>,3|C<3>}	119.1030	0.000	1	119.1030	0.000	1	119.1030	0.000	1	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Si[5]-4:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]Si[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]Si[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[6a]2N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]Si[5]){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]Si[5]C){2|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[6a]2N[5]){1|H<1>,7|C<3>}	115.2470	0.000	1	115.2470	0.000	1	115.2635	0.001	2	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Si[5]-4:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]Si[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]Si[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(Si[5]N[5]CC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]Si[5]){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(Si[5]N[5]CC){1|H<1>,3|C<3>}	115.2800	0.000	1	115.2800	0.000	1	115.2635	0.001	2	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cu)(O[5]C[5]Li)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Cu<3>,1|Li<3>,1|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cu)(O[5]C[5]Li){2|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH){1|Li<3>,1|H<1>,2|C<3>}	111.2200	0.000	1	111.2200	0.000	1	111.2200	0.000	1	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:P[5]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(P[5]C[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P[5]H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(O[5]C[5]){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(P[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P[5]H){1|C<4>,1|O<2>,1|P<3>,2|C<3>,2|H<1>}	118.2850	0.000	1	118.2850	0.000	1	118.2850	0.000	1	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6,6a]C)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(N[5,5]C[5,5]C[5])(C[6a]C[6,6a]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6,6a]C)(O[5]C[5,5]){1|C<3>,1|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5,5]C[5,5]C[5])(C[6a]C[6,6a]C){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H){2|C<3>,2|H<1>,3|C<4>}	111.2930	0.000	1	111.2930	0.000	1	111.2930	0.000	1	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C){1|H<1>,5|C<3>}	111.0320	0.000	1	111.0320	0.000	1	111.0320	0.000	1	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:In[5]-4:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]In[5])	C[5,6a](C[5,6a]C[6a]O[5])(N[5]C[6a]In[5])(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(In[5]N[5]Cl2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]In[5]){2|Cl<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5]C[6a]In[5])(C[6a]C[6a]H){2|Cl<1>,2|C<4>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(In[5]N[5]Cl2){1|C<4>,3|C<3>}	119.4620	0.000	1	119.4620	0.000	1	118.9093	0.345	3	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:In[5]-4:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]In[5])	C[5,6a](C[5,6a]C[6a]O[5])(N[5]C[6a]In[5])(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(In[5]N[5]II)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]In[5]){2|C<3>,2|H<1>,2|I<1>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5]C[6a]In[5])(C[6a]C[6a]H){2|C<4>,2|I<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(In[5]N[5]II){1|C<4>,3|C<3>}	118.9730	0.000	1	118.9730	0.000	1	118.9093	0.345	3	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:In[5]-4:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]In[5])	C[5,6a](C[5,6a]C[6a]O[5])(N[5]C[6a]In[5])(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(In[5]N[5]IN)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]In[5]){1|I<1>,1|N<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5]C[6a]In[5])(C[6a]C[6a]H){1|I<1>,1|N<4>,2|C<4>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(In[5]N[5]IN){1|C<4>,3|C<3>}	118.2930	0.000	1	118.2930	0.000	1	118.9093	0.345	3	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:O[5]-3:C[6a]-3:	C[5,6a]-3:B[5,5]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]B[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(O[5]B[5,5]Li)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(B[5,5]O[5]3)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]B[5,5]){1|Li<4>,1|C<3>,1|O<2>,1|O<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(O[5]B[5,5]Li)(C[6a]C[6a]H){1|C<3>,1|O<2>,1|O<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(B[5,5]O[5]3){2|Li<4>,1|H<1>,4|C<3>}	110.7175	0.074	2	110.7175	0.006	2	110.7175	0.006	2	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:O[5]-3:C[6a]-3:	C[5,6a]-3:B[5,5a]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]B[5,5a])	C[5,6a](C[5,6a]C[6a]O[5])(O[5]B[5,5a]Ag)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(B[5,5a]O[5a]2O[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]B[5,5a]){1|Ag<4>,1|C<3>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(O[5]B[5,5a]Ag)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<2>}	O[5](C[5,6a]C[5,6a]C[6a])(B[5,5a]O[5a]2O[5]){1|Ag<4>,1|C<4>,4|C<3>}	110.3980	0.000	1	110.3980	0.000	1	110.7700	0.192	3	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:O[5]-3:C[6a]-3:	C[5,6a]-3:B[5,5a]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]B[5,5a])	C[5,6a](C[5,6a]C[6a]O[5])(O[5]B[5,5a]Li)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(B[5,5a]O[5a]2O[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]B[5,5a]){1|Li<4>,1|C<3>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(O[5]B[5,5a]Li)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|O<2>}	O[5](C[5,6a]C[5,6a]C[6a])(B[5,5a]O[5a]2O[5]){1|Li<4>,1|H<1>,4|C<3>}	110.6590	0.000	1	110.6590	0.000	1	110.7700	0.192	3	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:O[5]-3:C[6a]-3:	C[5,6a]-3:B[5,5a]-4:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]B[5,5a])	C[5,6a](C[5,6a]C[6a]O[5])(O[5]B[5,5a]Ni)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(B[5,5a]O[5a]2O[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]B[5,5a]){1|Ni<4>,1|C<3>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(O[5]B[5,5a]Ni)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|O<2>}	O[5](C[5,6a]C[5,6a]C[6a])(B[5,5a]O[5a]2O[5]){1|Ni<4>,1|H<1>,4|C<3>}	111.2530	0.000	1	111.2530	0.000	1	110.7700	0.192	3	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]C)(O[5]C[5])	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(C[5]C[5]O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]C)(O[5]C[5]){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(C[5]C[5]O){1|O<1>,3|C<3>,3|C<4>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC){1|C<4>,1|O<1>,2|C<3>}	114.5830	0.000	1	114.5830	0.000	1	114.5675	1.389	6	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]C)(O[5]C[5])	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(C[5]C[5]O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|O<2>}	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(C[5]C[5]O){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO){1|C<4>,1|O<1>,2|C<3>}	114.5644	1.318	5	114.5644	1.737	5	114.5675	1.389	6	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]C)(O[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|O<2>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]O){2|C<4>,2|O<2>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO){1|C<4>,1|O<1>,2|C<3>}	115.4608	1.212	4	115.4608	1.468	4	115.1713	0.878	7	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){2|H<1>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]C){3|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|H<1>,3|C<3>}	114.7790	0.000	1	114.7790	0.000	1	115.1713	0.878	7	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]O){1|O<2>,2|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O){1|H<1>,1|O<1>,4|C<3>}	114.7885	0.286	2	114.7885	0.082	2	115.1713	0.878	7	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5]C[6]2)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5,6]){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5]C[6]2){1|H<1>,1|O<1>,1|O<2>,3|C<4>,4|C<3>}	114.7980	0.836	2	114.9565	0.275	4	114.9565	0.275	4	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5]C[6]2)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5,6]){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5]C[6]2){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	115.1150	0.164	2	114.9565	0.275	4	114.9565	0.275	4	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]CS)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5]){1|C<4>,1|O<1>,1|S<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]CS){1|O<1>,3|C<3>}	114.4160	0.000	1	114.4160	0.000	1	114.4160	0.000	1	113.9936	2.538	142	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:5:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:P[5]-5:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]P[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]P[5]P)	O[5](C[5,6a]C[5,6a]C[6a])(P[5]C[6a]2N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]P[5]){1|P<3>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]P[5]P){3|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(P[5]C[6a]2N[5]H){1|H<1>,1|P<3>,6|C<3>}	112.9650	0.000	1	112.9650	0.000	1	112.9650	0.000	1	116.0109	8.886	7	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:5:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-3:	C[5,6a]-3:B[5]-5:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]B[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]B[5]Ru)	O[5](C[5,6a]C[5,6a]C[6a])(B[5]O[5]RuCH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]B[5]){1|Ru<7>,1|C<3>,1|C<4>,1|H<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]B[5]Ru){1|C<3>,1|C<4>,1|H<2>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(B[5]O[5]RuCH){1|H<1>,2|C<3>}	111.0220	0.000	1	111.0220	0.000	1	111.0220	0.000	1	116.0109	8.886	7	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:5:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:Ga[5,5]-5:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]Ga[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(N[5]Ga[5,5]C[6a])(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(Ga[5,5]N[5]2O[5]N)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]Ga[5,5]){1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5]Ga[5,5]C[6a])(C[6a]C[6a]H){1|N<2>,1|N<3>,1|O<2>,2|C<4>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(Ga[5,5]N[5]2O[5]N){1|C<4>,6|C<3>}	117.0627	0.158	4	117.0627	0.025	4	117.0627	0.025	4	116.0109	8.886	7	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:5:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:In[5]-5:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]In[5])	C[5,6a](C[5,6a]C[6a]O[5])(N[5]C[6a]In[5])(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(In[5]N[5]Cl2N)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]In[5]){2|Cl<1>,1|N<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5]C[6a]In[5])(C[6a]C[6a]H){2|Cl<1>,1|N<4>,2|C<4>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(In[5]N[5]Cl2N){1|C<4>,3|C<3>}	119.8380	0.000	1	119.8380	0.000	1	119.8380	0.000	1	116.0109	8.886	7	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:6:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:Ga[3x5]-6:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]Ga[3x5])	C[5,6a](C[5,6a]C[6a]O[5])(N[5]Ga[3x5]C[6a])(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(Ga[3x5]N[5]3O[5]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]Ga[3x5]){2|C<3>,2|H<1>,2|N<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5]Ga[3x5]C[6a])(C[6a]C[6a]H){2|C<4>,2|N<3>,2|O<2>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(Ga[3x5]N[5]3O[5]2){1|C<4>,9|C<3>}	117.6297	0.159	3	117.6297	0.025	3	117.6297	0.025	3	117.5890	0.052	5	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:6:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:O[5]-3:C[6a]-3:	C[5,6a]-3:Ga[5,5]-6:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]Ga[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(O[5]Ga[5,5]Pd)(C[6a]C[6a]C)	O[5](C[5,6a]C[5,6a]C[6a])(Ga[5,5]O[5]3ClPd)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]Ga[5,5]){1|Cl<1>,1|Pd<5>,1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|O<3>}	C[5,6a](C[5,6a]C[6a]O[5])(O[5]Ga[5,5]Pd)(C[6a]C[6a]C){1|Cl<1>,1|C<3>,1|O<2>,1|O<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(Ga[5,5]O[5]3ClPd){1|H<1>,4|C<3>}	117.5280	0.380	2	117.5280	0.145	2	117.5280	0.145	2	117.5890	0.052	5	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	4:3:	C[5,6a]-3:C[6a,6a]-3:O[5]-2:	O[5,6,6]-3:C[6a,6a]-3:C[5,6a]-3:	B[5,6,6]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]O[5,6,6])(C[6a,6a]C[6a,6a]C[6a])(O[5]B[5,6,6])	C[5,6a](O[5,6,6]B[5,6,6]B[6,6])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]O[5])	O[5](B[5,6,6]O[5,6,6]N[6,6]2)(C[5,6a]C[6a,6a]C[5,6a])	C[5,6a](C[5,6a]C[6a,6a]O[5,6,6])(C[6a,6a]C[6a,6a]C[6a])(O[5]B[5,6,6]){1|B<4>,1|H<1>,2|N<3>,4|C<3>}	C[5,6a](O[5,6,6]B[5,6,6]B[6,6])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]O[5]){1|H<1>,1|O<2>,4|C<3>,4|N<3>}	O[5](B[5,6,6]O[5,6,6]N[6,6]2)(C[5,6a]C[6a,6a]C[5,6a]){1|B<4>,2|C<4>,5|C<3>}	114.9840	0.000	1	114.9840	0.000	1	114.9840	0.000	1	113.7731	0.253	9	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	O[5](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	113.4960	0.000	1	113.4960	0.000	1	113.4580	0.001	4	113.7731	0.253	9	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	O[5](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,2|O<2>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O[5](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a]){2|H<1>,7|C<3>}	113.4420	0.000	2	113.4453	0.000	3	113.4580	0.001	4	113.7731	0.253	9	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	O[5](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,2|O<2>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|C<4>,3|C<3>,3|H<1>}	O[5](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a]){2|H<1>,7|C<3>}	113.4520	0.000	1	113.4453	0.000	3	113.4580	0.001	4	113.7731	0.253	9	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[4,5]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[4,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[4,5]N)(C[6a]C[6a]H)	O[5](C[4,5]C[4,6]C[4]C[5])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[4,5]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[4,5]N)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	O[5](C[4,5]C[4,6]C[4]C[5])(C[5,6a]C[5,6a]C[6a]){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	114.0530	0.000	1	114.0530	0.000	1	113.7477	0.070	3	113.7731	0.253	9	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[4,5]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[4,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[4,5]O)(C[6a]C[6a]H)	O[5](C[4,5]C[4,6]C[4]C[5])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[4,5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[4,5]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[4,5]C[4,6]C[4]C[5])(C[5,6a]C[5,6a]C[6a]){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	113.6120	0.000	1	113.5950	0.001	2	113.7477	0.070	3	113.7731	0.253	9	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[4,5]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[4,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[4,5]O)(C[6a]C[6a]H)	O[5](C[4,5]C[4,6]C[4]C[5])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[4,5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[4,5]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	O[5](C[4,5]C[4,6]C[4]C[5])(C[5,6a]C[5,6a]C[6a]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	113.5780	0.000	1	113.5950	0.001	2	113.7477	0.070	3	113.7731	0.253	9	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]C[6])(C[6a]C[6a]H)	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]C[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a]){1|H<1>,6|C<3>}	113.8990	0.000	1	113.8990	0.000	1	113.8990	0.000	1	113.7731	0.253	9	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	5:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	P[5,5]-5:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]P[5,5])	C[5,6a](C[5,5]P[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](P[5,5]C[5,6a]C[5,5]C[6a]2)(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]P[5,5]){2|H<1>,5|C<3>}	C[5,6a](C[5,5]P[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,5|C<3>}	O[5](P[5,5]C[5,6a]C[5,5]C[6a]2)(C[5,6a]C[5,6a]C[6a]){1|H<1>,9|C<3>}	116.8250	0.000	1	116.2727	0.500	3	116.2727	0.500	3	115.5314	0.376	11	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	5:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	P[5,5]-5:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]P[5,5])	C[5,6a](C[5,5]P[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](P[5,5]C[5,6a]C[5,5]C[6a]2)(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]P[5,5]){2|H<1>,5|C<3>}	C[5,6a](C[5,5]P[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	O[5](P[5,5]C[5,6a]C[5,5]C[6a]2)(C[5,6a]C[5,6a]C[6a]){1|H<1>,9|C<3>}	115.9965	0.736	2	116.2727	0.500	3	116.2727	0.500	3	115.5314	0.376	11	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	5:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	Si[5,5]-5:C[5,6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]C)(O[5]Si[5,5])	C[5,6a](N[5,5]C[5,6a]Si[5,5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](Si[5,5]N[5,5]O[5]CC)(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]C)(O[5]Si[5,5]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](N[5,5]C[5,6a]Si[5,5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,4|C<4>}	O[5](Si[5,5]N[5,5]O[5]CC)(C[5,6a]C[5,6a]C[6a]){1|C<4>,4|C<3>}	115.2455	0.103	2	115.2455	0.011	2	115.3140	0.010	5	115.5314	0.376	11	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	5:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	Si[5,5]-5:C[5,6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(O[5]Si[5,5])	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](Si[5,5]N[5,5]2C[6a]2)(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(O[5]Si[5,5]){1|N<3>,2|H<1>,4|C<3>}	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,2|N<3>,3|C<3>}	O[5](Si[5,5]N[5,5]2C[6a]2)(C[5,6a]C[5,6a]C[6a]){1|H<1>,1|N<3>,8|C<3>}	115.3200	0.000	1	115.3200	0.000	1	115.3140	0.010	5	115.5314	0.376	11	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	5:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	Si[5,5]-5:C[5,6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(O[5]Si[5,5])	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](Si[5,5]N[5,5a]N[5,5]C[6a]C)(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(O[5]Si[5,5]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	O[5](Si[5,5]N[5,5a]N[5,5]C[6a]C)(C[5,6a]C[5,6a]C[6a]){1|H<1>,7|C<3>}	115.3795	0.101	2	115.3795	0.010	2	115.3140	0.010	5	115.5314	0.376	11	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	5:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	Si[5,6]-5:C[5,6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]Si[5,6])	C[5,6a](N[5,6]Si[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](Si[5,6]N[5,6]C[6a]N[5a]O[6])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]Si[5,6]){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](N[5,6]Si[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	O[5](Si[5,6]N[5,6]C[6a]N[5a]O[6])(C[5,6a]C[5,6a]C[6a]){1|H<1>,8|C<3>}	114.9390	0.362	2	114.9390	0.131	2	115.1523	0.202	3	115.5314	0.376	11	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	5:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	Si[5,6]-5:C[5,6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]Si[5,6])	C[5,6a](N[5,6]Si[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](Si[5,6]N[5,6]Si[5]O[6]C)(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]Si[5,6]){1|Si<4>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](N[5,6]Si[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|Si<4>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O[5](Si[5,6]N[5,6]Si[5]O[6]C)(C[5,6a]C[5,6a]C[6a]){1|C<4>,1|H<1>,2|N<3>,4|C<3>}	115.5790	0.000	1	115.5790	0.000	1	115.1523	0.202	3	115.5314	0.376	11	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	6:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	Nb[5,5]-6:C[5,6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]C)(O[5]Nb[5,5])	C[5,6a](N[5,5]C[5,6a]Nb[5,5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](Nb[5,5]N[5,5]O[5]Cl2O)(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]C)(O[5]Nb[5,5]){2|Cl<1>,1|O<2>,1|O<3>,2|C<3>,2|H<1>}	C[5,6a](N[5,5]C[5,6a]Nb[5,5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){2|Cl<1>,1|O<2>,1|O<3>,2|C<4>,3|C<3>}	O[5](Nb[5,5]N[5,5]O[5]Cl2O)(C[5,6a]C[5,6a]C[6a]){1|C<4>,4|C<3>}	112.4115	0.042	2	112.4115	0.002	2	113.1370	1.580	3	113.9008	3.387	4	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	6:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	Nb[5,5]-6:C[5,6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]C)(O[5]Nb[5,5])	C[5,6a](N[5,5]C[5,6a]Nb[5,5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](Nb[5,5]N[5,5]O[5]Cl3)(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]C)(O[5]Nb[5,5]){3|Cl<1>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](N[5,5]C[5,6a]Nb[5,5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){3|Cl<1>,1|O<2>,2|C<4>,3|C<3>}	O[5](Nb[5,5]N[5,5]O[5]Cl3)(C[5,6a]C[5,6a]C[6a]){1|C<4>,4|C<3>}	114.5880	0.000	1	114.5880	0.000	1	113.1370	1.580	3	113.9008	3.387	4	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:3:	6:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	Si[5,6]-6:C[5,6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]Si[5,6])	C[5,6a](N[5,6]Si[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](Si[5,6]N[5,6]C[6a]N[5a]N[5]O[6])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]Si[5,6]){1|O<2>,2|H<1>,2|N<3>,3|C<3>}	C[5,6a](N[5,6]Si[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|N<3>}	O[5](Si[5,6]N[5,6]C[6a]N[5a]N[5]O[6])(C[5,6a]C[5,6a]C[6a]){10|C<3>,1|H<1>}	116.1920	0.000	1	116.1920	0.000	1	116.1920	0.000	1	113.9008	3.387	4	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:3:	C[5,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[5])2(O[5]C[5])	C[5,6a](C[5,6a]C[5,6a]O[5])2(C[5]C[5]HH)	O[5](C[5,6a]C[5,6a]2)(C[5]C[5]O)	C[5,6a](C[5,6a]C[5,6a]C[5])2(O[5]C[5]){1|O<1>,2|C<3>,2|O<2>,4|H<1>}	C[5,6a](C[5,6a]C[5,6a]O[5])2(C[5]C[5]HH){1|O<1>,2|C<3>,2|C<4>}	O[5](C[5,6a]C[5,6a]2)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	111.7140	0.314	6	111.7140	0.099	6	111.7140	0.099	6	112.2919	0.316	41	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:3:	C[5,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(O[5]C[5])	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(C[5]C[5]HH)	O[5](C[5,6a]C[5,6a]2)(C[5]C[5]O)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(O[5]C[5]){1|O<1>,2|C<3>,2|O<2>,4|H<1>}	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<3>,1|O<1>,2|C<4>}	O[5](C[5,6a]C[5,6a]2)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	112.8290	0.000	1	112.8290	0.000	1	112.8290	0.000	1	112.2919	0.316	41	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(O[5]C[5])	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]O[5])(C[5]C[5]HH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]O[5])(C[5]C[5]HH){1|O<1>,2|C<3>,2|C<4>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	111.0520	0.000	1	111.0520	0.000	1	111.0520	0.000	1	112.2919	0.316	41	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]CN)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]CN){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	112.5362	0.094	4	112.5362	0.009	4	112.3353	0.223	28	112.2919	0.316	41	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|O<1>,2|C<4>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){2|C<3>,3|C<4>}	111.2860	0.000	1	111.2860	0.000	1	112.3353	0.223	28	112.2919	0.316	41	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CN)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CN){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	113.4350	0.140	2	113.4350	0.020	2	112.3353	0.223	28	112.2919	0.316	41	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|H<1>,2|C<3>,2|C<4>}	111.6090	0.000	1	112.1922	0.069	13	112.3353	0.223	28	112.2919	0.316	41	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|O<1>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|H<1>,2|C<3>,2|C<4>}	112.1536	0.173	5	112.1922	0.069	13	112.3353	0.223	28	112.2919	0.316	41	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|H<1>,2|C<3>,2|C<4>}	112.2062	0.101	4	112.1922	0.069	13	112.3353	0.223	28	112.2919	0.316	41	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|O<1>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|C<4>,1|H<1>,3|C<3>}	112.4323	0.284	3	112.1922	0.069	13	112.3353	0.223	28	112.2919	0.316	41	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|C<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2){2|C<4>,2|H<1>,3|C<3>}	112.1250	0.147	2	112.1250	0.022	2	112.3353	0.223	28	112.2919	0.316	41	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|O<1>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	112.0710	0.000	1	112.0710	0.000	1	112.3353	0.223	28	112.2919	0.316	41	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CS)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CS){1|C<3>,1|O<1>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	112.0370	0.000	2	112.0370	0.000	2	112.3353	0.223	28	112.2919	0.316	41	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<1>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){2|C<3>,3|H<1>}	112.2390	0.000	1	112.2390	0.000	1	112.3353	0.223	28	112.2919	0.316	41	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|Br<1>,1|H<1>,2|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C){1|O<2>,2|C<3>,2|H<1>}	112.9140	0.000	1	112.9140	0.000	1	112.3353	0.223	28	112.2919	0.316	41	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CC)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5]){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CC){1|C<3>,1|O<1>,2|O<2>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|C<4>,1|O<2>,3|C<3>}	113.0390	0.000	1	113.0390	0.000	1	112.3353	0.223	28	112.2919	0.316	41	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a,6a]-3:C[5,6a]-3:C[5,5]-4:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5,5]C[5]3)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5,5]C[5]3){2|C<4>,2|O<1>,3|C<3>,4|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O){1|C<4>,1|H<1>,3|C<3>}	112.5310	0.000	2	112.7635	0.072	4	112.7635	0.072	4	112.2919	0.316	41	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a,6a]-3:C[5,6a]-3:C[5,5]-4:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5,5]C[5]3)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5,5]C[5]3){2|O<1>,4|H<1>,5|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O){1|C<4>,1|H<1>,3|C<3>}	112.9960	0.000	2	112.7635	0.072	4	112.7635	0.072	4	112.2919	0.316	41	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:3:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CN)	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5]){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|O<1>,1|O<2>,2|C<3>}	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]O){1|C<4>,1|N<3>,3|C<3>}	113.3630	0.000	1	113.3630	0.000	1	113.3630	0.000	1	112.2919	0.316	41	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])(O[5]C[5])	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	O[5](C[5,6a]C[5,6a]2)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])(O[5]C[5]){1|C<3>,3|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O[5](C[5,6a]C[5,6a]2)(C[5]C[5]CC){1|O<2>,2|C<3>,2|H<1>}	114.3715	0.213	2	114.3715	0.045	2	114.3715	0.045	2	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a,6a]-3:O[5]-2:	C[6a,6a]-3:C[5,6a]-3:C[5,5]-4:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a,6a]C[6a,6a]C[6a])(O[5]C[5,5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]O[5])(C[5,5]C[5,5]O[5]H)	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]O[5]C)	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a,6a]C[6a,6a]C[6a])(O[5]C[5,5]){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]O[5])(C[5,5]C[5,5]O[5]H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]O[5]C){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	114.9150	0.000	1	114.9150	0.000	1	114.9150	0.000	1	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]O[5])(C[5]C[5]CH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]O[5])(C[5]C[5]CH){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	112.9170	0.000	1	112.9170	0.000	1	113.5217	0.625	3	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]O[5])(C[5]C[5]CH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]O[5])(C[5]C[5]CH){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H){2|H<1>,5|C<3>}	113.2320	0.000	1	113.2320	0.000	1	113.5217	0.625	3	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]O[5])(C[5]C[5]HH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]O[5])(C[5]C[5]HH){1|C<3>,3|C<4>,4|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){2|C<3>,3|H<1>}	114.4160	0.000	1	114.4160	0.000	1	113.5217	0.625	3	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]HH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(O[5]C[5]){1|C<3>,1|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]HH){1|O<2>,2|C<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){2|H<1>,3|C<3>}	113.2810	0.000	1	113.6590	0.117	3	113.4774	0.529	126	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]HH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(O[5]C[5]){1|C<3>,1|O<2>,5|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]HH){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	113.8480	0.137	2	113.6590	0.117	3	113.4774	0.529	126	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]C)(C[5]C[5]HH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]C)(C[5]C[5]HH){1|C<3>,1|O<2>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){2|C<3>,3|H<1>}	113.9290	0.000	1	113.9290	0.000	1	113.4774	0.529	126	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]CH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]CH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC){2|H<1>,3|C<3>}	112.9810	0.673	2	112.9810	0.453	2	113.4774	0.529	126	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]CH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]CH){1|O<2>,2|C<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){2|H<1>,3|C<3>}	113.6380	0.000	1	113.6380	0.000	1	113.4774	0.529	126	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]HH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){2|C<3>,3|H<1>}	112.8080	0.000	1	112.8080	0.000	1	113.4774	0.529	126	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O)(C[5]C[5]HH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]O)(O[5]C[5]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O)(C[5]C[5]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|O<2>,2|C<3>,2|H<1>}	113.4222	0.212	5	113.4222	0.045	5	113.4774	0.529	126	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){2|C<3>,3|H<1>}	112.7215	0.322	2	112.7215	0.104	2	113.4774	0.529	126	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|O<2>,2|C<3>,2|H<1>}	114.2680	0.000	1	113.6637	0.354	3	113.4774	0.529	126	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(O[5]C[5]){1|O<2>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH){1|H<1>,1|O<2>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|O<2>,2|C<3>,2|H<1>}	113.3615	0.400	2	113.6637	0.354	3	113.4774	0.529	126	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(C[5]C[5]HH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(C[5]C[5]HH){2|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){2|H<1>,3|C<3>}	112.3630	0.293	2	112.3630	0.086	2	113.4774	0.529	126	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]N[6a]O)(C[5]C[5]HH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5]){1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]N[6a]O)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){2|H<1>,3|C<3>}	114.5040	0.000	1	114.5040	0.000	1	113.4774	0.529	126	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]O[6a]O)(C[5]C[5]HH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]O[6a]O)(C[5]C[5]HH){1|Br<1>,1|C<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){1|Br<1>,2|C<3>,2|H<1>}	114.7900	0.503	6	114.7900	0.253	6	113.4774	0.529	126	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,1|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){1|C<4>,1|H<1>,3|C<3>}	113.1900	0.424	3	113.1900	0.180	3	113.4774	0.529	126	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<2>,1|C<4>,1|O<2>,2|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C){1|C<2>,2|H<1>,4|C<3>}	112.7620	0.000	1	112.7620	0.000	1	113.4774	0.529	126	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]N)(C[5]C[5]HH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]N)(C[5]C[5]HH){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|C<4>,2|C<3>,2|H<1>}	113.5990	0.000	1	113.5990	0.000	1	113.4774	0.529	126	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(O[5]C[5]){1|N<3>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN){2|Cl<1>,1|H<1>,2|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	114.2530	0.000	1	114.2530	0.000	1	113.4774	0.529	126	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6]C[6a])(C[5]C[5]HH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6]C[6a])(C[5]C[5]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){2|C<3>,3|H<1>}	113.9340	0.000	1	113.9340	0.000	1	113.4774	0.529	126	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CC)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CC){1|C<3>,4|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){1|H<1>,2|C<3>,2|C<4>}	112.9440	0.065	2	113.0563	0.040	3	113.4774	0.529	126	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CC)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CC){2|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){1|H<1>,2|C<3>,2|C<4>}	113.2810	0.000	1	113.0563	0.040	3	113.4774	0.529	126	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CC)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[6]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CC){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[6]H){1|H<1>,2|C<3>,4|C<4>}	113.3570	0.000	1	113.3570	0.000	1	113.4774	0.529	126	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,1|C<4>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|C<4>,2|C<3>,2|H<1>}	113.4620	0.379	2	113.4620	0.144	2	113.4774	0.529	126	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,4|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	112.9420	0.000	1	112.9420	0.000	1	113.4774	0.529	126	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]HH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,1|C<4>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){2|C<3>,3|H<1>}	112.9110	0.000	1	112.9110	0.000	1	113.4774	0.529	126	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(C[5]C[5]HN)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|Cl<1>,1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(C[5]C[5]HN){2|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2C[5]){1|N<3>,2|H<1>,6|C<3>}	112.5875	0.558	2	112.5875	0.311	2	113.4774	0.529	126	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]2H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]ClH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|Cl<1>,1|C<3>,1|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|Cl<1>,1|O<2>,3|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]ClH){1|C<4>,2|C<3>,2|H<1>}	112.6880	0.000	1	112.6880	0.000	1	113.4774	0.529	126	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]2H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|Cl<1>,2|H<1>,2|N<3>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN){1|C<4>,2|C<3>,2|H<1>}	112.7865	0.555	2	112.7865	0.308	2	113.4774	0.529	126	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]2H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,3|C<3>,4|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H){1|C<4>,2|H<1>,4|C<3>}	113.4975	0.324	4	113.4975	0.105	4	113.4774	0.529	126	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){1|H<1>,2|C<3>,2|C<4>}	113.0520	0.000	1	112.5893	0.478	3	113.4774	0.529	126	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,4|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){1|H<1>,2|C<3>,2|C<4>}	112.9210	0.000	1	112.5893	0.478	3	113.4774	0.529	126	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){1|H<1>,2|C<3>,2|C<4>}	111.7950	0.000	1	112.5893	0.478	3	113.4774	0.529	126	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2C[5]){1|H<1>,2|C<4>,6|C<3>}	111.7980	0.000	1	111.7980	0.000	1	113.4774	0.529	126	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<2>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,2|C<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|C<2>,2|C<3>,2|H<1>}	113.4850	0.000	1	113.2783	0.130	6	113.4774	0.529	126	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|C<4>,2|C<3>,2|H<1>}	113.2590	0.444	4	113.2783	0.130	6	113.4774	0.529	126	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|C<4>,2|C<3>,2|H<1>}	113.1490	0.000	1	113.2783	0.130	6	113.4774	0.529	126	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,4|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	113.4643	0.373	3	113.4643	0.139	3	113.4774	0.529	126	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2C[5]){1|C<4>,2|H<1>,6|C<3>}	112.7305	0.114	2	112.7305	0.013	2	113.4774	0.529	126	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C){1|C<4>,2|H<1>,4|C<3>}	113.1040	0.000	1	113.1040	0.000	1	113.4774	0.529	126	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|Br<1>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|O<2>,2|C<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H){2|H<1>,5|C<3>}	113.7430	0.000	1	113.4483	0.245	6	113.4774	0.529	126	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,2|C<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H){1|C<4>,2|H<1>,4|C<3>}	113.2850	0.000	1	113.4483	0.245	6	113.4774	0.529	126	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|O<2>,2|C<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H){2|H<1>,5|C<3>}	114.1940	0.000	1	113.4483	0.245	6	113.4774	0.529	126	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|Br<1>,2|C<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H){2|H<1>,5|C<3>}	113.3785	0.011	2	113.4483	0.245	6	113.4774	0.529	126	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,2|C<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H){2|H<1>,5|C<3>}	112.7110	0.000	1	113.4483	0.245	6	113.4774	0.529	126	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CO)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CO){2|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|H<1>,1|O<2>,3|C<3>}	113.6530	0.000	1	113.6530	0.000	1	113.4774	0.529	126	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C){2|C<3>,2|N<3>,3|H<1>}	115.9600	0.000	1	115.9600	0.000	1	113.4774	0.529	126	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){2|C<3>,3|H<1>}	113.0900	0.000	1	113.3910	0.165	3	113.4774	0.529	126	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){2|C<3>,3|H<1>}	113.2300	0.000	1	113.3910	0.165	3	113.4774	0.529	126	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){2|C<3>,3|H<1>}	113.8530	0.000	1	113.3910	0.165	3	113.4774	0.529	126	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO){2|C<3>,3|H<1>}	112.6730	0.000	1	112.6730	0.000	1	113.4774	0.529	126	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,6|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){2|C<3>,3|H<1>}	113.0772	1.183	5	113.1916	0.772	9	113.4774	0.529	126	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,6|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|S<4>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){2|C<3>,3|H<1>}	113.1010	0.000	1	113.1916	0.772	9	113.4774	0.529	126	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,6|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){2|C<3>,3|H<1>}	113.4123	0.423	3	113.1916	0.772	9	113.4774	0.529	126	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|N<3>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN){2|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC){1|N<3>,2|C<3>,2|H<1>}	113.6950	0.000	1	113.6950	0.000	1	113.4774	0.529	126	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|N<3>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|Br<1>,2|C<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|N<3>,2|C<3>,2|H<1>}	113.7710	0.262	4	113.6757	0.070	6	113.4774	0.529	126	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|N<3>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<4>,2|C<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|N<3>,2|C<3>,2|H<1>}	113.3560	0.000	1	113.6757	0.070	6	113.4774	0.529	126	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|N<3>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN){2|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|N<3>,2|C<3>,2|H<1>}	113.6140	0.000	1	113.6757	0.070	6	113.4774	0.529	126	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|N<3>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|Br<1>,1|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C){1|N<3>,2|H<1>,4|C<3>}	111.9060	0.000	1	111.9060	0.000	1	113.4774	0.529	126	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	113.3510	0.000	1	113.3510	0.000	1	113.4774	0.529	126	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|O<2>,2|C<3>,2|H<1>}	113.9820	0.000	1	113.3585	0.778	2	113.4774	0.529	126	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<2>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO){2|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|O<2>,2|C<3>,2|H<1>}	112.7350	0.000	1	113.3585	0.778	2	113.4774	0.529	126	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<2>,5|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,4|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){1|O<2>,2|C<3>,2|H<1>}	113.4030	0.000	1	113.4030	0.000	1	113.4774	0.529	126	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<4>,2|C<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C){1|O<2>,2|H<1>,4|C<3>}	113.2475	0.104	2	113.2475	0.011	2	113.4774	0.529	126	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(C[5]C[5]HH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<2>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(C[5]C[5]HH){2|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){2|C<3>,3|H<1>}	112.6510	0.000	1	112.6510	0.000	1	113.4774	0.529	126	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(O[5]C[5]){1|C<3>,1|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|N<3>,2|C<3>,2|H<1>}	113.3220	0.000	1	113.3220	0.000	1	113.4774	0.529	126	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N[5])(O[5]C[5]){3|C<3>,6|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){1|N<3>,2|C<3>,2|H<1>}	114.3630	0.335	4	114.3630	0.112	4	113.4774	0.529	126	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CC)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CC){1|C<3>,1|O<2>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){1|O<2>,2|C<3>,2|C<4>}	113.9360	0.000	1	113.9360	0.000	1	113.4774	0.529	126	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,2|H<1>,2|O<2>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	114.4720	0.000	1	114.4720	0.000	1	113.4774	0.529	126	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5]){3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|H<1>,1|O<2>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H){1|H<1>,1|O<2>,5|C<3>}	114.3260	0.000	1	114.3260	0.000	1	113.4774	0.529	126	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5]){1|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC){1|O<2>,2|C<3>,2|H<1>}	113.8995	0.424	11	113.8500	0.165	13	113.4774	0.529	126	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5]){1|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|H<1>,1|O<3>,2|C<4>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC){1|O<3>,2|C<3>,2|H<1>}	113.5775	0.050	2	113.8500	0.165	13	113.4774	0.529	126	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|H<1>,2|C<3>,2|O<2>}	114.5680	0.000	1	114.5680	0.000	1	113.4774	0.529	126	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O[4])(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O[4])(O[5]C[5]){2|In<4>,1|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|H<1>,1|O<3>,2|C<4>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC){1|O<3>,2|C<3>,2|H<1>}	114.0120	0.000	1	114.0120	0.000	1	113.4774	0.529	126	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(P[5]C[5]CO)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2P[5])	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(P[5]C[5]CO){2|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2P[5]){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	117.6335	0.063	2	117.6335	0.004	2	117.7438	0.025	4	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(P[5]C[5]CO)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5]H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(P[5]C[5]CO){2|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5]H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	117.9620	0.000	1	117.9620	0.000	1	117.7438	0.025	4	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(P[5]C[5]CO)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(P[5]C[5]CO){1|C<3>,4|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	117.7460	0.000	1	117.7460	0.000	1	117.7438	0.025	4	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:Si[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(Si[5]C[5]CC)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]HH)	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|Si<4>,1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(Si[5]C[5]CC){1|C<3>,1|O<2>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]HH){1|H<1>,2|C<3>,2|C<4>}	119.4460	0.000	1	119.4460	0.000	1	119.4460	0.000	1	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[6a]O[5])(C[5]C[5]HH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[6a]O[5])(C[5]C[5]HH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C){3|H<1>,4|C<3>}	113.5650	0.000	1	113.5650	0.000	1	113.5650	0.000	1	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(C[5]C[5]CH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(C[5]C[5]CH){3|C<3>,4|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	113.6025	0.760	2	113.6025	0.578	2	112.7457	0.625	6	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[6,6a]C[6,6a]O[6])(C[5,6a]C[6a]O[5])(C[5]C[5]HH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<2>,2|C<3>,4|H<1>}	C[5,6a](C[6,6a]C[6,6a]O[6])(C[5,6a]C[6a]O[5])(C[5]C[5]HH){1|C<4>,2|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){2|C<3>,3|H<1>}	112.3503	0.408	3	112.3173	0.116	4	112.7457	0.625	6	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[6,6a]C[6,6a]O[6])(C[5,6a]C[6a]O[5])(C[5]C[5]HH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|Pd<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6a](C[6,6a]C[6,6a]O[6])(C[5,6a]C[6a]O[5])(C[5]C[5]HH){1|C<4>,2|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){2|C<3>,3|H<1>}	112.2180	0.000	1	112.3173	0.116	4	112.7457	0.625	6	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5,6]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5,6]HH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6]){1|C<4>,3|C<3>,5|H<1>}	113.2930	0.000	1	113.2930	0.000	1	113.2930	0.000	1	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]2)(O[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]O[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]HH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5,6a](C[6a,6a]C[6a,6a]O[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]HH){2|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){2|H<1>,3|C<3>}	113.1000	0.000	1	113.1000	0.000	1	113.2629	0.690	23	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]Br)(O[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]Br)(O[5]C[5]){1|N<3>,3|C<3>,3|H<1>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H){1|Br<1>,1|N<3>,2|H<1>,5|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN){1|Br<1>,1|H<1>,3|C<3>}	113.2175	0.476	4	113.2175	0.227	4	113.2629	0.690	23	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]CC)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]CC){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){1|H<1>,2|C<3>,2|C<4>}	114.5270	0.344	2	114.5270	0.118	2	113.2629	0.690	23	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]CH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|N<3>,3|C<3>,3|H<1>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]CH){1|N<3>,3|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN){2|H<1>,3|C<3>}	111.9930	0.000	1	111.9930	0.000	1	113.2629	0.690	23	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]HH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){3|C<3>,4|H<1>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]HH){3|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){2|C<3>,3|H<1>}	114.5440	0.000	1	114.5440	0.000	1	113.2629	0.690	23	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]HH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){3|H<1>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]HH){3|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H){3|H<1>,4|C<3>}	114.5630	0.000	1	114.5630	0.000	1	113.2629	0.690	23	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){3|H<1>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H){3|H<1>,6|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){2|H<1>,3|C<3>}	114.0080	0.133	2	114.0080	0.018	2	113.2629	0.690	23	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|N<3>,3|C<3>,3|H<1>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H){1|N<3>,3|H<1>,5|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN){2|H<1>,3|C<3>}	112.7976	0.612	8	112.7976	0.375	8	113.2629	0.690	23	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]O[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]CC)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[5,6a](C[6a,6a]C[6a,6a]O[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]CC){1|C<4>,2|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|H<1>,2|C<3>,2|C<4>}	112.6665	0.112	2	112.6665	0.013	2	113.2629	0.690	23	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]O[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]HH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6a](C[6a,6a]C[6a,6a]O[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]HH){1|C<4>,2|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){2|C<3>,3|H<1>}	113.1930	0.000	1	113.1930	0.000	1	113.2629	0.690	23	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:N[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a]C)(O[5]C[5])	C[5,6a](C[5,6a]N[6a]O[5])(C[6a]N[6a]O)(C[5]C[5]CC)	O[5](C[5,6a]C[5,6a]N[6a])(C[5]C[6a]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a]C)(O[5]C[5]){1|C<2>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]N[6a]O[5])(C[6a]N[6a]O)(C[5]C[5]CC){1|H<1>,2|C<3>,2|C<4>}	O[5](C[5,6a]C[5,6a]N[6a])(C[5]C[6a]C[5]H){1|C<2>,1|C<4>,5|C<3>}	115.9850	0.000	1	115.9850	0.000	1	115.9850	0.000	1	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]C[3])(C[5]C[5]HH)	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5]){1|C<4>,3|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]C[3])(C[5]C[5]HH){2|C<3>,2|C<4>,4|H<1>}	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH){2|H<1>,3|C<3>}	114.7400	0.188	2	114.7400	0.035	2	114.5376	0.163	5	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]CH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5]){4|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|H<1>,3|C<3>}	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]CH){2|H<1>,3|C<3>}	114.4230	0.000	1	114.4230	0.000	1	114.5376	0.163	5	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]N[6a])(C[5]C[5]HH)	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5]){1|N<2>,3|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]N[6a])(C[5]C[5]HH){2|H<1>,4|C<3>}	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH){2|H<1>,3|C<3>}	114.8820	0.000	1	114.8820	0.000	1	114.5376	0.163	5	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]O[6a]O)(C[5]C[5]HH)	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]2H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5]){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]O[6a]O)(C[5]C[5]HH){1|C<4>,1|H<1>,2|C<3>}	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]2H){2|H<1>,3|C<3>,3|C<4>}	113.9030	0.000	1	113.9030	0.000	1	114.5376	0.163	5	113.6198	1.221	174	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]C){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O){1|O<2>,2|C<3>,2|C<4>}	112.3880	0.000	1	112.3880	0.000	1	111.8760	0.382	4	112.3684	0.393	39	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]N)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,5|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]N){1|H<1>,2|C<3>,2|C<4>}	110.9820	0.000	1	110.9820	0.000	1	111.8760	0.382	4	112.3684	0.393	39	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,4|C<3>,5|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O){1|H<1>,2|C<3>,2|C<4>}	111.9900	0.000	1	112.0670	0.012	2	111.8760	0.382	4	112.3684	0.393	39	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O){1|C<4>,1|H<1>,3|C<3>}	112.1440	0.000	1	112.0670	0.012	2	111.8760	0.382	4	112.3684	0.393	39	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O){1|H<1>,2|C<3>,2|C<4>}	112.1800	0.452	4	112.3635	0.610	6	112.3635	0.610	6	112.3684	0.393	39	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O){1|H<1>,2|C<3>,2|C<4>}	112.7305	1.426	2	112.3635	0.610	6	112.3635	0.610	6	112.3684	0.393	39	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|C<4>,1|H<1>,3|C<3>}	112.6513	0.163	3	112.6513	0.027	3	112.3192	0.226	24	112.3684	0.393	39	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]C){1|S<2>,2|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]){2|H<1>,5|C<3>}	110.5590	0.000	1	110.5590	0.000	1	112.3192	0.226	24	112.3684	0.393	39	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]2C[5])(C[6a]C[6a]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]2C[5])(C[6a]C[6a]C){1|O<1>,2|H<1>,5|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|H<1>,4|C<3>}	112.5280	0.000	1	112.5280	0.000	1	112.3192	0.226	24	112.3684	0.393	39	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|H<1>,4|C<3>}	112.2550	0.000	1	112.2550	0.000	1	112.3192	0.226	24	112.3684	0.393	39	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|C<4>,1|H<1>,3|C<3>}	112.5515	0.067	2	112.4337	0.044	3	112.3192	0.226	24	112.3684	0.393	39	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|C<4>,1|H<1>,3|C<3>}	112.1980	0.000	1	112.4337	0.044	3	112.3192	0.226	24	112.3684	0.393	39	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|C<4>,1|H<1>,3|C<3>}	112.3575	0.354	2	112.2278	0.088	4	112.3192	0.226	24	112.3684	0.393	39	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|C<4>,1|H<1>,3|C<3>}	112.2880	0.000	1	112.2278	0.088	4	112.3192	0.226	24	112.3684	0.393	39	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|C<4>,1|H<1>,3|C<3>}	111.9080	0.000	1	112.2278	0.088	4	112.3192	0.226	24	112.3684	0.393	39	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){2|H<1>,3|C<3>}	112.0140	0.000	1	112.0515	0.048	4	112.3192	0.226	24	112.3684	0.393	39	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){2|H<1>,3|C<3>}	112.2100	0.122	2	112.0515	0.048	4	112.3192	0.226	24	112.3684	0.393	39	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){2|H<1>,3|C<3>}	111.7720	0.000	1	112.0515	0.048	4	112.3192	0.226	24	112.3684	0.393	39	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|H<1>,1|N<3>,3|C<3>}	112.5710	0.236	4	112.5790	0.042	5	112.3192	0.226	24	112.3684	0.393	39	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H){1|F<1>,1|H<1>,1|O<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|H<1>,1|N<3>,3|C<3>}	112.6110	0.000	1	112.5790	0.042	5	112.3192	0.226	24	112.3684	0.393	39	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|H<1>,1|O<2>,3|C<3>}	112.1940	0.000	1	112.1940	0.000	1	112.3192	0.226	24	112.3684	0.393	39	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]S)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]S)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|H<1>,1|S<2>,3|C<3>}	112.8590	0.000	1	112.8590	0.000	1	112.3192	0.226	24	112.3684	0.393	39	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]N[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]2N[5])(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]N[5]){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]2N[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5]){1|H<1>,6|C<3>}	112.3450	0.000	1	112.3450	0.000	1	112.3450	0.000	1	112.3684	0.393	39	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a,6a]-3:C[5,5]-4:C[5,6a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a]C[6a]H)(O[5]C[5]){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]O[5]){1|O<1>,3|H<1>,6|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O){1|H<1>,4|C<3>}	112.7740	0.163	2	112.7740	0.026	2	112.7740	0.026	2	112.3684	0.393	39	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:3:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,5]C[6a])(O[5]C[5])	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5,5]C[5]2N[5])(C[6a]O[6a]O)	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,5]C[6a])(O[5]C[5]){1|H<1>,1|N<3>,1|O<2>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5,5]C[5]2N[5])(C[6a]O[6a]O){1|O<1>,6|C<3>}	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O){1|N<3>,4|C<3>}	114.3650	0.000	1	114.3650	0.000	1	114.3650	0.000	1	112.3684	0.393	39	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:3:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5]){1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]O){1|H<1>,4|C<3>}	112.7630	0.000	1	112.7630	0.000	1	112.7630	0.000	1	112.3684	0.393	39	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6,6a]-3:O[5]-2:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[5,6]-4:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]C[6])(O[5]C[5,6])	C[5,6a](C[5,6a]C[6,6a]O[5])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]O)	O[5](C[5,6a]C[5,6a]C[6,6a])(C[5,6]C[3,6]C[5,6]C)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]C[6])(O[5]C[5,6]){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[5,6a](C[5,6a]C[6,6a]O[5])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]O){2|C<3>,2|H<1>,4|C<4>}	O[5](C[5,6a]C[5,6a]C[6,6a])(C[5,6]C[3,6]C[5,6]C){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	113.4830	0.000	1	113.4830	0.000	1	113.4830	0.000	1	113.8723	3.061	78	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a,6a]-3:O[5]-2:	C[6a,6a]-3:C[3x5]-4:C[5,6a]-3:	C[5,6a]-3:C[3x5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[3x5])(C[6a,6a]C[6a,6a]C[6a])(O[5]C[3x5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[3x5]C[3x5]C[5]O[5])(C[5,6a]C[6a,6a]O[5])	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[3x5]C[3x5]C[5]O[5])	C[5,6a](C[5,6a]C[6a,6a]C[3x5])(C[6a,6a]C[6a,6a]C[6a])(O[5]C[3x5]){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[3x5]C[3x5]C[5]O[5])(C[5,6a]C[6a,6a]O[5]){1|O<2>,3|C<4>,3|H<1>,4|C<3>}	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[3x5]C[3x5]C[5]O[5]){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	114.7600	0.000	1	114.7600	0.000	1	114.7600	0.000	1	113.8723	3.061	78	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[4,5]-4:C[6a]-3:	C[5,6a]-3:C[4,5]-4:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(O[5]C[4,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[4,5]C[4,5]2H)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]2C[6a])	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(O[5]C[4,5]){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[4,5]C[4,5]2H)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]2C[6a]){1|Cl<1>,1|C<4>,2|H<1>,5|C<3>}	113.4990	0.000	1	113.4990	0.000	1	113.4990	0.000	1	113.8723	3.061	78	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]C){1|C<3>,2|C<4>,8|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH){1|H<1>,2|C<3>,2|C<4>}	112.3390	0.000	1	112.3390	0.000	1	112.3390	0.000	1	113.8723	3.061	78	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5,5]){3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){2|C<4>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	113.0980	0.000	1	113.0980	0.000	1	113.0564	0.092	18	113.8723	3.061	78	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]BrH)(C[6a]C[6a]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|Br<1>,1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]BrH)(C[6a]C[6a]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5]){1|Br<1>,1|O<2>,1|S<4>,3|C<3>,4|H<1>}	113.2690	0.000	1	113.2690	0.000	1	113.0564	0.092	18	113.8723	3.061	78	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]BrH)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|Br<1>,1|C<3>,1|C<4>,1|F<1>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]BrH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|N<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5]){1|Br<1>,1|O<2>,1|S<4>,3|C<3>,4|H<1>}	113.2840	0.000	1	113.1263	0.026	3	113.0564	0.092	18	113.8723	3.061	78	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]BrH)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]BrH)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5]){1|Br<1>,1|O<2>,1|S<4>,3|C<3>,4|H<1>}	112.9600	0.000	1	113.1263	0.026	3	113.0564	0.092	18	113.8723	3.061	78	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]BrH)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]BrH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5]){1|Br<1>,1|O<2>,1|S<4>,3|C<3>,4|H<1>}	113.1350	0.000	1	113.1263	0.026	3	113.0564	0.092	18	113.8723	3.061	78	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]BrH)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]BrH)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5]){1|Br<1>,1|C<4>,3|C<3>,4|H<1>}	113.0795	0.575	2	113.0795	0.330	2	113.0564	0.092	18	113.8723	3.061	78	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]CH)(C[6a]C[6a]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]CH)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	113.0320	0.000	1	113.0320	0.000	1	113.0564	0.092	18	113.8723	3.061	78	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]CH)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	112.9375	0.368	4	112.9375	0.135	4	113.0564	0.092	18	113.8723	3.061	78	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]CH)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5]){1|C<4>,1|O<2>,1|S<4>,3|C<3>,4|H<1>}	112.4580	0.000	1	112.4580	0.000	1	113.0564	0.092	18	113.8723	3.061	78	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3,5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3,5]C[5]2){2|C<3>,4|C<4>,5|H<1>}	113.1975	0.138	2	113.1975	0.019	2	113.0564	0.092	18	113.8723	3.061	78	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3){1|O<1>,4|C<3>,5|H<1>}	113.3840	0.000	1	113.3840	0.000	1	113.0564	0.092	18	113.8723	3.061	78	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]HN)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]HN)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5]){1|N<2>,1|O<2>,1|S<4>,3|C<3>,4|H<1>}	113.2980	0.000	1	113.2980	0.000	1	113.0564	0.092	18	113.8723	3.061	78	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]HO)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]HO)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5]){1|S<4>,2|O<2>,3|C<3>,4|H<1>}	112.7930	0.000	1	112.7930	0.000	1	113.0564	0.092	18	113.8723	3.061	78	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]N[6])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|N<3>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]N[6]){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	113.0830	1.861	2	113.0830	3.464	2	112.9001	0.454	14	113.8723	3.061	78	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6]){1|C<4>,3|C<3>,5|H<1>}	112.7525	0.018	2	112.8165	0.020	4	112.9001	0.454	14	113.8723	3.061	78	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6]){1|C<4>,3|C<3>,5|H<1>}	112.8805	0.209	2	112.8165	0.020	4	112.9001	0.454	14	113.8723	3.061	78	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HO)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HO)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6]){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	112.7271	0.337	7	112.7271	0.114	7	112.9001	0.454	14	113.8723	3.061	78	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]S)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]S)(O[5]C[5,6]){3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|S<2>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2){1|O<1>,1|S<2>,3|H<1>,4|C<3>}	114.0800	0.000	1	114.0800	0.000	1	112.9001	0.454	14	113.8723	3.061	78	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[5,6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[5,6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN){2|H<1>,3|C<3>}	111.7880	0.000	1	111.7880	0.000	1	113.0047	0.469	10	113.8723	3.061	78	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|H<1>,4|C<3>}	113.9130	0.000	1	113.9130	0.000	1	113.0047	0.469	10	113.8723	3.061	78	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C){3|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H){2|H<1>,5|C<3>}	112.6373	0.326	3	112.6373	0.106	3	113.0047	0.469	10	113.8723	3.061	78	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){2|H<1>,3|C<3>}	112.7950	0.000	1	113.3937	0.280	3	113.0047	0.469	10	113.8723	3.061	78	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|Br<1>,2|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){2|H<1>,3|C<3>}	113.8000	0.000	1	113.3937	0.280	3	113.0047	0.469	10	113.8723	3.061	78	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){3|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){2|H<1>,3|C<3>}	113.5860	0.000	1	113.3937	0.280	3	113.0047	0.469	10	113.8723	3.061	78	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H){2|H<1>,5|C<3>}	113.4810	0.000	1	113.4810	0.000	1	113.0047	0.469	10	113.8723	3.061	78	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){3|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H){2|H<1>,5|C<3>}	112.7720	0.000	1	112.7720	0.000	1	113.0047	0.469	10	113.8723	3.061	78	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:N[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(N[5]C[5]CdH)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]C[5]){1|Cd<4>,1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5]C[5]CdH)(C[6a]C[6a]H){2|C<3>,3|C<4>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC){1|Cd<4>,1|C<4>,1|H<1>,2|C<3>}	110.4480	0.000	1	110.4480	0.000	1	110.4480	0.000	1	113.8723	3.061	78	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(P[5]C[5]CuC)(C[6a]C[6a]2)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(O[5]C[5]){1|Cu<4>,1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(P[5]C[5]CuC)(C[6a]C[6a]2){3|C<3>,4|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH){1|Cu<4>,1|C<4>,1|H<1>,2|C<3>}	117.8967	0.382	4	117.8967	0.146	4	118.5191	1.516	7	113.8723	3.061	78	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(P[5]C[5]PdC)(C[6a]C[6a]2)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]CH)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(O[5]C[5]){1|Pd<4>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(P[5]C[5]PdC)(C[6a]C[6a]2){1|C<4>,3|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]CH){1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	121.1790	0.000	1	121.1790	0.000	1	118.5191	1.516	7	113.8723	3.061	78	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(P[5]C[5]RhC)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]CH)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(O[5]C[5]){1|Rh<5>,1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(P[5]C[5]RhC)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]CH){1|Rh<5>,1|C<4>,1|H<1>,2|C<3>}	118.4340	0.137	2	118.4340	0.019	2	118.5191	1.516	7	113.8723	3.061	78	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a,6a]-3:C[5,5]-4:C[5,6a]-3:	C[5,6a]-3:C[3x5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a]C[6a]H)(O[5]C[3x5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]C[3x5]C[5]H)(C[5,6a]C[6a]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2N[5])	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a]C[6a]H)(O[5]C[3x5]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]C[3x5]C[5]H)(C[5,6a]C[6a]O[5]){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2N[5]){2|C<4>,4|C<3>,4|H<1>}	114.3610	0.000	1	114.3610	0.000	1	114.3610	0.000	1	113.8723	3.061	78	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a,6a]-3:C[5,5]-4:C[5,6a]-3:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a]C[6a]H)(O[5]C[5,5]){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]O[5]){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O){2|C<4>,3|C<3>,3|H<1>}	113.7425	0.778	4	113.7425	0.605	4	113.6124	0.538	5	113.8723	3.061	78	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a,6a]-3:C[5,5]-4:C[5,6a]-3:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5]){1|C<4>,2|C<3>,2|O<2>,5|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H){2|C<3>,2|C<4>,2|H<1>}	113.0920	0.000	1	113.0920	0.000	1	113.6124	0.538	5	113.8723	3.061	78	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a,6a]-3:C[5,6]-4:C[5,6a]-3:	C[5,6a]-3:C[5,6]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(O[5]C[5,6]){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5]){2|C<4>,3|C<3>,5|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	114.5400	0.000	1	114.5400	0.000	1	114.5400	0.000	1	113.8723	3.061	78	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:N[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a]C)(O[5]C[5,6])	C[5,6a](C[5,6a]N[6a]O[5])(C[5]C[5,6]CC)(C[6a]N[6a]O)	O[5](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6]2)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a]C)(O[5]C[5,6]){1|N<3>,2|C<3>,2|C<4>,2|O<1>}	C[5,6a](C[5,6a]N[6a]O[5])(C[5]C[5,6]CC)(C[6a]N[6a]O){2|C<4>,3|C<3>}	O[5](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6]2){2|C<3>,2|N<3>,2|O<1>,3|C<4>}	116.3020	0.000	1	116.3020	0.000	1	116.3020	0.000	1	113.8723	3.061	78	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:4:	C[5a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[6a]C[5])(O[5]C[5])	C[5,6a](C[5,6a]C[5a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	O[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]HN)	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[6a]C[5])(O[5]C[5]){2|N<3>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	O[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]HN){1|H<1>,4|C<3>}	113.7890	0.000	1	113.7890	0.000	1	113.7890	0.000	1	113.8723	3.061	78	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:4:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[5,6]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6]C[6a])(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H)	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]C[6a]N[6])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6]C[6a])(O[5]C[5,6]){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]C[6a]N[6]){1|C<4>,2|H<1>,6|C<3>}	114.6320	0.000	1	114.6320	0.000	1	114.2045	0.366	2	113.8723	3.061	78	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:4:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[5,6]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6]C[6a])(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5,6]C[5,6]O[6]H)(C[6a]N[6a]H)	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]C[6]Br)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6]C[6a])(O[5]C[5,6]){1|Br<1>,1|N<2>,1|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5,6]C[5,6]O[6]H)(C[6a]N[6a]H){1|Br<1>,4|C<3>}	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]C[6]Br){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	113.7770	0.000	1	113.7770	0.000	1	114.2045	0.366	2	113.8723	3.061	78	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:4:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6]C[6a])(O[5]C[5])	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6]HH)	C[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6]C[6a])(O[5]C[5]){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|N<2>,2|C<4>,5|H<1>}	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6]HH){1|C<4>,1|N<2>,3|C<3>}	113.4540	0.000	1	113.4540	0.000	1	113.4540	0.000	1	113.8723	3.061	78	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:4:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[5,5]C[6a]H)(C[6a]O[6a]O)	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]3)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5,5]){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[5,5]C[6a]H)(C[6a]O[6a]O){6|C<3>}	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]3){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,4|C<3>}	114.5265	0.456	2	114.5265	0.208	2	114.5265	0.208	2	113.8723	3.061	78	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:4:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C)	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HO)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5]){1|O<2>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C){1|H<1>,2|O<2>,4|C<3>}	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HO){1|H<1>,4|C<3>}	114.1710	0.000	1	114.1710	0.000	1	114.4244	0.212	10	113.8723	3.061	78	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:4:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]CC)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5]){1|C<2>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<2>,1|H<1>,5|C<3>}	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]CC){1|H<1>,4|C<3>}	113.8920	0.000	1	113.8365	0.006	2	114.4244	0.212	10	113.8723	3.061	78	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:4:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]CC)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5]){3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|H<1>,6|C<3>}	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]CC){1|H<1>,4|C<3>}	113.7810	0.000	1	113.8365	0.006	2	114.4244	0.212	10	113.8723	3.061	78	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:4:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]N[6a]O)	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]CH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5]){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]N[6a]O){1|C<4>,1|H<1>,5|C<3>}	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]CH){1|H<1>,4|C<3>}	114.7480	0.000	1	114.7480	0.000	1	114.4244	0.212	10	113.8723	3.061	78	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:4:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]O[6a]O)	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]CH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5]){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]O[6a]O){1|H<1>,5|C<3>}	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]CH){1|H<1>,4|C<3>}	114.5048	0.291	4	114.5048	0.085	4	114.4244	0.212	10	113.8723	3.061	78	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:4:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]O[6a]O)	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HN)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5]){1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]O[6a]O){1|H<1>,1|N<3>,4|C<3>}	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HN){1|H<1>,4|C<3>}	114.3380	0.000	1	114.3380	0.000	1	114.4244	0.212	10	113.8723	3.061	78	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	3:4:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]O[6a]O)	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5a]C[5]C)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5]){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]O[6a]O){1|C<4>,5|C<3>}	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5a]C[5]C){1|H<1>,1|S<2>,5|C<3>}	115.2950	0.000	1	115.2950	0.000	1	114.4244	0.212	10	113.8723	3.061	78	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	4:3:	C[5,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(O[5]C[5,6])	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]O)	O[5](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(O[5]C[5,6]){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]O){1|H<1>,2|C<3>,2|C<4>}	O[5](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[5,6a]2){3|C<3>,3|H<1>,5|C<4>}	113.7970	0.000	1	113.9737	0.120	4	113.9737	0.120	4	113.5917	1.776	20	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	4:3:	C[5,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(O[5]C[5,6])	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]O)	O[5](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(O[5]C[5,6]){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]O){1|C<3>,1|H<1>,3|C<4>}	O[5](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[5,6a]2){2|C<3>,3|H<1>,6|C<4>}	113.8610	0.376	2	113.9737	0.120	4	113.9737	0.120	4	113.5917	1.776	20	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	4:3:	C[5,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(O[5]C[5,6])	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]O)	O[5](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(O[5]C[5,6]){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]O){1|C<3>,1|H<1>,3|C<4>}	O[5](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[5,6a]2){2|C<3>,3|H<1>,6|C<4>}	114.3760	0.000	1	113.9737	0.120	4	113.9737	0.120	4	113.5917	1.776	20	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[4,5]-4:C[6a]-3:	C[4,5]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(O[5]C[4,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[4,5]C[4,5]2H)(C[6a]C[6a]H)	O[5](C[4,5]C[4,5]C[6a]O[4])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(O[5]C[4,5]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[4,5]C[4,5]2H)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	O[5](C[4,5]C[4,5]C[6a]O[4])(C[5,6a]C[5,6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	113.8710	0.000	1	113.8710	0.000	1	113.8710	0.000	1	113.5917	1.776	20	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]CH)(C[6a]C[6a]H)	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<2>,2|C<3>}	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a]){1|C<4>,2|H<1>,5|C<3>}	112.3740	0.000	1	112.3740	0.000	1	112.5435	0.019	4	113.5917	1.776	20	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H)	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a]){1|C<4>,2|H<1>,6|C<3>}	112.5700	0.000	1	112.6000	0.010	3	112.5435	0.019	4	113.5917	1.776	20	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H)	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|N<3>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a]){1|C<4>,2|H<1>,6|C<3>}	112.6150	0.137	2	112.6000	0.010	3	112.5435	0.019	4	113.5917	1.776	20	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]C)	O[5](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5,6]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]C){2|C<4>,3|C<3>}	O[5](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a]){1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	113.1510	0.000	1	113.1510	0.000	1	113.2570	0.604	9	113.5917	1.776	20	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]O)	O[5](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5,6]){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]O){1|H<1>,2|C<3>,2|C<4>}	O[5](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a]){3|C<3>,3|H<1>,5|C<4>}	113.2475	0.320	2	113.2475	0.103	2	113.2570	0.604	9	113.5917	1.776	20	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]O[6a]O)	O[5](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5,6]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]O[6a]O){2|C<3>,2|C<4>}	O[5](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a]){2|H<1>,3|C<3>,5|C<4>}	114.2760	0.000	1	114.2760	0.000	1	113.2570	0.604	9	113.5917	1.776	20	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HO)(C[6a]C[6a]O)	O[5](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5,6]){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HO)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	O[5](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a]){1|C<4>,1|H<1>,1|O<1>,2|O<2>,5|C<3>}	111.9660	0.000	1	111.9660	0.000	1	113.2570	0.604	9	113.5917	1.776	20	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	O[5](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	O[5](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a]){1|C<4>,4|C<3>,5|H<1>}	113.3050	0.000	1	113.3050	0.000	1	113.2570	0.604	9	113.5917	1.776	20	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6]){3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	O[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a]){1|O<1>,3|H<1>,5|C<3>}	112.3850	0.000	1	112.3850	0.000	1	113.2570	0.604	9	113.5917	1.776	20	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]O)	O[5](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]O){1|H<1>,2|C<3>,2|C<4>}	O[5](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a]){2|C<3>,4|H<1>,5|C<4>}	113.3650	0.000	1	113.3650	0.000	1	113.2570	0.604	9	113.5917	1.776	20	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HO)(C[6a]O[6a]O)	O[5](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HO)(C[6a]O[6a]O){1|C<4>,1|H<1>,2|C<3>}	O[5](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a]){1|O<2>,2|H<1>,3|C<3>,4|C<4>}	114.3700	0.000	1	114.3700	0.000	1	113.2570	0.604	9	113.5917	1.776	20	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]C)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(Si[5]C[5,5]CC)(C[6a]C[6a]H)	O[5](C[5,5]C[5,6a]2Si[5])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]C)(O[5]C[5,5]){2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(Si[5]C[5,5]CC)(C[6a]C[6a]H){2|C<4>,3|C<3>}	O[5](C[5,5]C[5,6a]2Si[5])(C[5,6a]C[5,6a]C[6a]){3|C<4>,6|C<3>}	118.2720	0.000	1	118.2720	0.000	1	118.2720	0.000	1	113.5917	1.776	20	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	3:4:3:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a,6a]-3:C[5,5]-4:C[5,6a]-3:	C[5,5]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]C[5,5]N[5,5]H)(C[5,6a]C[6a]O[5])	O[5](C[5,5]C[5,5]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a]C[6a]H)(O[5]C[5,5]){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]C[5,5]N[5,5]H)(C[5,6a]C[6a]O[5]){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	O[5](C[5,5]C[5,5]C[6a]O[5])(C[5,6a]C[5,6a]C[6a]){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	114.3090	0.000	1	114.3090	0.000	1	114.3090	0.000	1	113.5917	1.776	20	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5]){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	112.8900	0.000	1	112.8900	0.000	1	112.8900	0.000	1	112.5430	0.505	10	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)(O[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)(O[5]C[5,6]){1|C<4>,2|O<2>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|C<4>,1|O<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]){1|C<4>,1|H<1>,5|C<3>}	112.0175	0.376	4	112.0175	0.141	4	112.2307	0.222	7	112.5430	0.505	10	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]){2|C<3>,2|H<1>,3|C<4>}	112.7110	0.000	1	112.7110	0.000	1	112.2307	0.222	7	112.5430	0.505	10	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]){1|C<4>,1|H<1>,5|C<3>}	112.8790	0.000	1	112.8790	0.000	1	112.2307	0.222	7	112.5430	0.505	10	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]){2|C<4>,2|H<1>,3|C<3>}	111.9550	0.000	1	111.9550	0.000	1	112.2307	0.222	7	112.5430	0.505	10	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O){1|H<1>,2|C<3>,2|C<4>}	112.8630	0.000	1	112.8630	0.000	1	112.8630	0.000	1	112.5430	0.505	10	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5]C[6a]C[5]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5]C[6a]C[5]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|C<4>,1|H<1>,3|C<3>}	114.0620	0.000	1	114.0620	0.000	1	114.0620	0.000	1	112.5430	0.505	10	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[3,5]-4:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(O[5]C[3,5])	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(O[5]C[3,5]){1|C<3>,1|C<4>,4|H<1>}	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){3|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]H){2|H<1>,4|C<3>}	113.0180	0.000	1	113.0180	0.000	1	113.0180	0.000	1	113.3504	0.506	84	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]C[5]H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]C[5]H){2|C<3>,3|C<4>,3|H<1>}	114.0825	0.319	2	113.8420	0.224	3	113.8420	0.224	3	113.3504	0.506	84	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]C[5]H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]C[5]H){2|C<3>,3|C<4>,3|H<1>}	113.3610	0.000	1	113.8420	0.224	3	113.8420	0.224	3	113.3504	0.506	84	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5,6]HO)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5,6]HO){1|H<1>,2|C<3>,2|C<4>}	112.2750	0.000	1	112.2750	0.000	1	112.2750	0.000	1	113.3504	0.506	84	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6,6a]H)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6,6a]H)(O[5]C[5,5]){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H){2|C<3>,2|C<4>,2|H<1>}	113.0300	0.287	2	113.0300	0.082	2	113.2488	0.502	33	113.3504	0.506	84	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(O[5]C[5,5]){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H){2|C<4>,2|H<1>,3|C<3>}	113.3890	0.000	1	113.3890	0.000	1	113.2488	0.502	33	113.3504	0.506	84	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(O[5]C[5,5]){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){2|C<3>,3|C<4>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C){2|C<4>,2|H<1>,4|C<3>}	112.5350	0.206	2	112.5350	0.043	2	113.2488	0.502	33	113.3504	0.506	84	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]F)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]F)(O[5]C[5,5]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|F<1>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H){1|F<1>,1|H<1>,2|C<3>,2|C<4>}	114.7680	0.293	2	114.7680	0.086	2	113.2488	0.502	33	113.3504	0.506	84	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,5]C[5,6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5,6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H){1|C<4>,1|H<1>,4|C<3>}	112.4070	0.000	1	112.4070	0.000	1	113.2488	0.502	33	113.3504	0.506	84	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|O<2>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	113.9790	0.000	1	113.9790	0.000	1	113.2488	0.502	33	113.3504	0.506	84	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C){1|O<2>,2|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H){3|H<1>,4|C<3>}	113.9310	0.000	1	113.9310	0.000	1	113.2488	0.502	33	113.3504	0.506	84	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	113.1000	0.332	2	113.0630	0.059	3	113.2488	0.502	33	113.3504	0.506	84	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){3|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H){3|H<1>,4|C<3>}	112.9890	0.000	1	113.0630	0.059	3	113.2488	0.502	33	113.3504	0.506	84	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]N)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|N<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]N){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	112.1090	0.000	1	112.8860	1.207	2	113.2488	0.502	33	113.3504	0.506	84	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]N)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]N){1|C<4>,3|C<3>,3|H<1>}	113.6630	0.000	1	112.8860	1.207	2	113.2488	0.502	33	113.3504	0.506	84	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C){1|C<4>,2|H<1>,3|C<3>}	112.3060	0.000	1	112.3060	0.000	1	113.2488	0.502	33	113.3504	0.506	84	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H){2|C<3>,2|C<4>,2|H<1>}	113.7210	0.000	1	113.2633	0.193	3	113.2488	0.502	33	113.3504	0.506	84	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H){2|C<3>,2|C<4>,2|H<1>}	113.0345	0.269	2	113.2633	0.193	3	113.2488	0.502	33	113.3504	0.506	84	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H){2|C<3>,2|C<4>,2|H<1>}	112.2340	0.000	1	112.2340	0.000	1	113.2488	0.502	33	113.3504	0.506	84	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C){1|H<1>,6|C<3>}	113.3410	0.000	1	113.3410	0.000	1	113.2488	0.502	33	113.3504	0.506	84	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|O<2>,2|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H){1|O<2>,2|H<1>,4|C<3>}	113.9650	0.000	1	113.9650	0.000	1	113.2488	0.502	33	113.3504	0.506	84	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,1|N<2>,1|O<2>,4|H<1>}	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H){1|O<2>,2|H<1>,3|C<3>}	113.8660	0.000	1	113.8660	0.000	1	113.2488	0.502	33	113.3504	0.506	84	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H){1|C<4>,1|H<1>,5|C<3>}	112.4680	0.000	1	113.2870	0.324	4	113.2488	0.502	33	113.3504	0.506	84	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H){1|H<1>,2|C<4>,4|C<3>}	113.7700	0.000	1	113.2870	0.324	4	113.2488	0.502	33	113.3504	0.506	84	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|N<3>,3|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H){1|H<1>,6|C<3>}	113.5290	0.000	1	113.2870	0.324	4	113.2488	0.502	33	113.3504	0.506	84	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|N<3>,3|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H){2|H<1>,5|C<3>}	113.3810	0.000	1	113.2870	0.324	4	113.2488	0.502	33	113.3504	0.506	84	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]P)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]P)(O[5]C[5,5]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,1|P<4>,2|C<4>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C){1|C<4>,1|P<4>,4|C<3>}	113.3165	0.786	4	113.3165	0.618	4	113.2488	0.502	33	113.3504	0.506	84	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]P)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]P)(O[5]C[5,5]){1|O<2>,2|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,1|P<4>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H){1|H<1>,1|P<4>,4|C<3>}	112.9800	0.701	2	112.9800	0.492	2	113.2488	0.502	33	113.3504	0.506	84	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|O<2>,3|C<3>,6|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH){1|C<4>,1|H<1>,3|C<3>}	112.9625	0.115	2	112.9625	0.013	2	113.3263	0.288	4	113.3504	0.506	84	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5]){1|N<2>,2|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH){1|H<1>,1|N<2>,3|C<3>}	113.2890	0.000	1	113.2890	0.000	1	113.3263	0.288	4	113.3504	0.506	84	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	114.0910	0.000	1	114.0910	0.000	1	113.3263	0.288	4	113.3504	0.506	84	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(O[5]C[5,6])	C[5,6a](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(O[5]C[5,6]){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[5,6a](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H){1|C<3>,2|H<1>,4|C<4>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	112.6270	0.000	1	113.1194	0.533	5	113.3405	0.453	33	113.3504	0.506	84	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(O[5]C[5,6])	C[5,6a](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(O[5]C[5,6]){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[5,6a](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H){1|C<3>,2|H<1>,4|C<4>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	113.2425	0.781	4	113.1194	0.533	5	113.3405	0.453	33	113.3504	0.506	84	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)(O[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)(O[5]C[5,6]){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){2|C<4>,3|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C){1|C<4>,2|H<1>,4|C<3>}	112.5690	0.416	2	112.5690	0.173	2	113.3405	0.453	33	113.3504	0.506	84	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>,4|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	113.7020	0.000	1	113.6675	0.002	2	113.3405	0.453	33	113.3504	0.506	84	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	113.6330	0.000	1	113.6675	0.002	2	113.3405	0.453	33	113.3504	0.506	84	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]N)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]N){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	113.4860	0.000	1	113.4860	0.000	1	113.3405	0.453	33	113.3504	0.506	84	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2H){1|C<4>,2|H<1>,5|C<3>}	113.8510	0.000	1	113.8510	0.000	1	113.3405	0.453	33	113.3504	0.506	84	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	113.0550	0.000	1	113.0550	0.000	1	113.3405	0.453	33	113.3504	0.506	84	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|N<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	112.8830	0.000	1	112.8830	0.000	1	113.3405	0.453	33	113.3504	0.506	84	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){2|C<3>,2|C<4>,4|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	112.3585	0.230	2	112.3585	0.053	2	113.3405	0.453	33	113.3504	0.506	84	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]O[6a]O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]O[6a]O){1|O<2>,2|C<3>,4|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	114.3070	0.000	1	114.3070	0.000	1	113.3405	0.453	33	113.3504	0.506	84	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]O[6a]O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]O[6a]O){1|O<2>,2|C<3>,4|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H){2|C<3>,2|C<4>,2|H<1>}	114.2690	0.035	2	114.2690	0.001	2	113.3405	0.453	33	113.3504	0.506	84	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]N)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl){1|C<4>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]N){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	112.6760	0.000	1	112.6760	0.000	1	113.3405	0.453	33	113.3504	0.506	84	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6]C[5,6]O[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6a](C[5,6]C[5,6]O[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	113.6360	0.000	1	113.6965	0.014	4	113.3405	0.453	33	113.3504	0.506	84	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6]C[5,6]O[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6a](C[5,6]C[5,6]O[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	113.7167	0.138	3	113.6965	0.014	4	113.3405	0.453	33	113.3504	0.506	84	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	113.4960	0.000	1	113.4960	0.000	1	113.3405	0.453	33	113.3504	0.506	84	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6]C[6,6a]C[5,6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5,6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	112.6180	0.000	1	112.6180	0.000	1	113.3405	0.453	33	113.3504	0.506	84	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[5]C[5,6]){1|C<3>,2|H<1>,4|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	113.3170	1.068	4	113.3532	0.862	5	113.3405	0.453	33	113.3504	0.506	84	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[5]C[5,6]){2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	113.4980	0.000	1	113.3532	0.862	5	113.3405	0.453	33	113.3504	0.506	84	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[5]C[5,6]){1|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	113.5740	0.000	1	113.5740	0.000	1	113.3405	0.453	33	113.3504	0.506	84	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]S)(O[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]S)(O[5]C[5,6]){1|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|Br<1>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C){1|C<4>,1|O<2>,1|S<4>,2|H<1>,3|C<3>}	113.7370	0.000	1	113.7065	0.002	2	113.3405	0.453	33	113.3504	0.506	84	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]S)(O[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]S)(O[5]C[5,6]){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|Br<1>,1|S<4>,2|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C){1|C<4>,1|H<1>,1|O<2>,1|S<4>,3|C<3>}	113.6760	0.000	1	113.7065	0.002	2	113.3405	0.453	33	113.3504	0.506	84	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){4|C<3>,6|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH){1|C<4>,1|H<1>,3|C<3>}	113.3085	0.169	2	113.3085	0.029	2	113.3085	0.029	2	113.3504	0.506	84	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:B[5,6a]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]B[5,6a])	C[5,6a](C[5]B[5,6a]N[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(B[5,6a]O[6a]2C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]B[5,6a]){1|C<3>,1|N<4>,2|O<2>,3|H<1>}	C[5,6a](C[5]B[5,6a]N[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(B[5,6a]O[6a]2C[5]){1|N<4>,2|B<3>,2|C<3>,2|H<1>}	115.0840	0.000	1	115.0840	0.000	1	115.0840	0.000	1	113.3504	0.506	84	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5,5])	C[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5,5]){1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H){1|H<1>,1|O<2>,5|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3){1|O<1>,3|H<1>,5|C<3>}	113.6540	0.000	1	113.6540	0.000	1	113.3458	0.104	5	113.3504	0.506	84	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5]C[5,5]C[5a]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5]C[5,5]C[5a]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5]){1|O<2>,1|S<4>,4|C<3>,4|H<1>}	113.0230	0.000	1	113.0230	0.000	1	113.3458	0.104	5	113.3504	0.506	84	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5]){1|O<2>,1|S<4>,4|C<3>,4|H<1>}	113.1930	0.000	1	113.1930	0.000	1	113.3458	0.104	5	113.3504	0.506	84	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){3|H<1>,4|C<3>}	C[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3){1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	113.1310	0.000	1	113.1310	0.000	1	113.3458	0.104	5	113.3504	0.506	84	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5,5])	C[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5,5]){3|H<1>,4|C<3>}	C[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	113.7280	0.000	1	113.7280	0.000	1	113.3458	0.104	5	113.3504	0.506	84	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	3:4:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5,6]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6]C[6a])(O[5]C[5,5,6])	C[5,6a](C[5,6]C[5,5,6]O[6]H)(C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]C)	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5,6]C[5,6]2C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6]C[6a])(O[5]C[5,5,6]){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,5,6]O[6]H)(C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]C){1|O<2>,2|C<4>,3|C<3>}	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5,6]C[5,6]2C[5]){1|C<4>,2|H<1>,2|O<2>,6|C<3>}	115.4350	0.000	1	115.4350	0.000	1	115.4350	0.000	1	113.3504	0.506	84	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	3:5:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:P[3x5]-5:	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(O[5]P[3x5])	C[5,6a](C[3x5]C[5,6a]2P[3x5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(P[3x5]C[3x5]O[5]2H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(O[5]P[3x5]){2|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[3x5]C[5,6a]2P[3x5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<2>,5|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(P[3x5]C[3x5]O[5]2H){1|H<1>,6|C<3>}	115.7426	0.235	5	115.7426	0.055	5	115.7426	0.055	5	115.7426	0.055	5	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[6,6a]-3:O[5]-2:	C[5,5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(C[6,6a]C[6,6a]C[6])(O[5]C[5,5,6])	C[5,6a](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)	O[5](C[5,5,6]C[5,5,6,6]C[6,6a]O[5])(C[5,6a]C[5,6a]C[6,6a])	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(C[6,6a]C[6,6a]C[6])(O[5]C[5,5,6]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[5,6a](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	O[5](C[5,5,6]C[5,5,6,6]C[6,6a]O[5])(C[5,6a]C[5,6a]C[6,6a]){2|C<4>,6|C<3>}	112.0125	0.083	2	112.0125	0.007	2	112.0125	0.007	2	113.4754	0.493	54	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[3x5]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(O[5]C[3x5])	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[3x5]C[3x5]N[5]O[5])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(O[5]C[3x5]){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|N<3>,3|H<1>}	O[5](C[3x5]C[3x5]N[5]O[5])(C[5,6a]C[5,6a]C[6a]){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	113.2830	0.000	2	113.2830	0.000	2	113.2830	0.000	2	113.4754	0.493	54	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)(O[5]C[5,6])	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]C)	O[5](C[5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)(O[5]C[5,6]){1|C<3>,2|H<1>,4|C<4>}	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]C){1|C<3>,1|N<3>,2|O<2>,3|C<4>,4|H<1>}	O[5](C[5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a]){2|C<3>,3|C<4>,3|O<2>}	113.7520	0.040	2	113.7520	0.002	2	113.7520	0.002	2	113.4754	0.493	54	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,5,6]-4:C[6a,6a]-3:C[5,6a]-3:	C[5,6]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a,6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])	O[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,5,6]C[6a,6a])(C[6a]C[6a]H)(O[5]C[5,6]){2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5]){3|C<3>,4|C<4>,6|H<1>}	O[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a]){2|C<3>,3|C<4>,3|H<1>}	114.1270	0.000	1	114.1270	0.000	1	114.1270	0.000	1	113.4754	0.493	54	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[3,5])	C[5,6a](C[5,5]C[3,5]N[5]O[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[3,5]C[5,5]C[3]O[3])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[3,5]){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	C[5,6a](C[5,5]C[3,5]N[5]O[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	O[5](C[3,5]C[5,5]C[3]O[3])(C[5,6a]C[5,6a]C[6a]){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	113.5105	0.233	2	113.5105	0.054	2	113.5105	0.054	2	113.4754	0.493	54	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]H)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)	O[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]H)(O[5]C[5,5]){1|H<1>,3|C<3>,3|O<2>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	O[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a]){1|H<1>,1|O<2>,5|C<3>}	113.4535	0.304	4	113.4535	0.092	4	113.6435	0.520	23	113.4754	0.493	54	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]O)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)	O[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]O)(O[5]C[5,5]){1|H<1>,3|C<3>,3|O<2>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H){1|C<4>,1|O<1>,2|O<2>,3|C<3>}	O[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a]){2|O<2>,5|C<3>}	114.6780	0.117	2	114.6780	0.014	2	113.6435	0.520	23	113.4754	0.493	54	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	O[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	113.7430	0.000	1	113.7430	0.000	1	113.6435	0.520	23	113.4754	0.493	54	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,5]C[5,5a]C[5,5]C)(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O[5](C[5,5]C[5,5a]C[5,5]C)(C[5,6a]C[5,6a]C[6a]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	113.9570	0.000	1	113.9570	0.000	1	113.6435	0.520	23	113.4754	0.493	54	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	O[5](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|H<1>,2|O<2>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|O<1>,2|H<1>,4|C<3>}	O[5](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a]){2|H<1>,7|C<3>}	112.7830	0.000	1	112.7830	0.000	1	113.6435	0.520	23	113.4754	0.493	54	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|H<1>,3|C<3>,3|O<2>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	O[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a]){1|H<1>,1|O<2>,5|C<3>}	113.8240	0.000	1	113.8240	0.000	1	113.6435	0.520	23	113.4754	0.493	54	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	O[5](C[5,5]C[5,5]C[5a]C[5])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){2|C<3>,2|C<4>,3|O<2>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[5](C[5,5]C[5,5]C[5a]C[5])(C[5,6a]C[5,6a]C[6a]){1|O<2>,1|S<2>,2|C<4>,2|H<1>,4|C<3>}	112.4500	1.686	2	112.8753	1.964	3	113.6435	0.520	23	113.4754	0.493	54	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	O[5](C[5,5]C[5,5]C[5a]C[5])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){2|C<3>,2|C<4>,3|O<2>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[5](C[5,5]C[5,5]C[5a]C[5])(C[5,6a]C[5,6a]C[6a]){2|C<4>,2|H<1>,2|O<2>,4|C<3>}	113.7260	0.000	1	112.8753	1.964	3	113.6435	0.520	23	113.4754	0.493	54	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	O[5](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){2|C<3>,2|C<4>,3|O<2>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	O[5](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a]){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	113.5030	0.000	1	113.4622	0.109	4	113.6435	0.520	23	113.4754	0.493	54	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	O[5](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){2|C<3>,2|C<4>,3|O<2>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[5](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a]){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	113.9140	0.000	1	113.4622	0.109	4	113.6435	0.520	23	113.4754	0.493	54	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	O[5](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){3|O<2>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|O<1>,2|H<1>,4|C<3>}	O[5](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a]){1|H<1>,1|O<2>,7|C<3>}	113.2160	0.000	2	113.4622	0.109	4	113.6435	0.520	23	113.4754	0.493	54	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){2|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	O[5](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a]){1|H<1>,8|C<3>}	113.9970	0.266	2	113.9970	0.071	2	113.6435	0.520	23	113.4754	0.493	54	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	O[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a]){1|H<1>,6|C<3>}	114.3870	0.000	1	114.3870	0.000	1	113.6435	0.520	23	113.4754	0.493	54	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,5]N[5]N)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,5]C[5,5]N[5]N)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	O[5](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[5,6a]C[6a]){1|H<1>,2|N<3>,4|C<3>}	114.2015	0.083	2	114.2015	0.007	2	113.6435	0.520	23	113.4754	0.493	54	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	O[5](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a]){1|Br<1>,2|H<1>,7|C<3>}	113.0650	0.000	1	113.0650	0.000	1	113.6435	0.520	23	113.4754	0.493	54	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,6]C[5,6,6]C[6]O)(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	O[5](C[5,6]C[5,6,6]C[6]O)(C[5,6a]C[5,6a]C[6a]){2|C<3>,3|C<4>,3|H<1>}	112.7720	0.000	1	112.7720	0.000	1	113.2505	0.458	2	113.4754	0.493	54	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]O)(O[5]C[5,6])	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,6]C[5,6,6]C[6]H)(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]O)(O[5]C[5,6]){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	O[5](C[5,6]C[5,6,6]C[6]H)(C[5,6a]C[5,6a]C[6a]){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	113.7290	0.000	1	113.7290	0.000	1	113.2505	0.458	2	113.4754	0.493	54	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(O[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(O[5]C[5,6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H){2|C<3>,2|O<2>,4|H<1>}	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	112.8770	0.191	2	112.8770	0.036	2	113.2771	0.370	17	113.4754	0.493	54	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)(O[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	O[5](C[5,6]C[3,6]C[5,6]C)(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)(O[5]C[5,6]){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){2|C<3>,3|C<4>,3|H<1>}	O[5](C[5,6]C[3,6]C[5,6]C)(C[5,6a]C[5,6a]C[6a]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	112.6667	0.401	3	112.6667	0.161	3	113.2771	0.370	17	113.4754	0.493	54	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C)	O[5](C[5,6]C[5,6]C[4]O[6])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	O[5](C[5,6]C[5,6]C[4]O[6])(C[5,6a]C[5,6a]C[6a]){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	114.2180	0.000	1	114.2180	0.000	1	113.2771	0.370	17	113.4754	0.493	54	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,6]C[4,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	O[5](C[5,6]C[4,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a]){1|C<2>,1|C<4>,2|H<1>,4|C<3>}	113.5075	0.855	2	113.5075	0.731	2	113.2771	0.370	17	113.4754	0.493	54	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	113.1900	0.000	1	113.1900	0.000	1	113.2771	0.370	17	113.4754	0.493	54	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,5|H<1>}	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	113.3390	0.454	3	113.2943	0.146	4	113.2771	0.370	17	113.4754	0.493	54	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){3|C<3>,4|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){3|C<3>,4|H<1>}	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a]){2|H<1>,5|C<3>}	113.1600	0.000	1	113.2943	0.146	4	113.2771	0.370	17	113.4754	0.493	54	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]C[5,6]N)(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|N<3>,3|H<1>}	O[5](C[5,6]C[6,6a]C[5,6]N)(C[5,6a]C[5,6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	112.6700	0.000	1	112.6700	0.000	1	113.2771	0.370	17	113.4754	0.493	54	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6]C[5,6]N[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]C[5,6]C)(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]N[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	O[5](C[5,6]C[6,6a]C[5,6]C)(C[5,6a]C[5,6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	113.4500	0.000	1	113.4500	0.000	1	113.2771	0.370	17	113.4754	0.493	54	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[5]C[5,6]){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a]){1|H<1>,2|C<4>,2|O<2>,3|C<3>}	114.3790	0.000	1	114.3790	0.000	1	113.2771	0.370	17	113.4754	0.493	54	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[5]C[5,6])	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[5]C[5,6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){2|C<3>,2|O<2>,4|H<1>}	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	113.8580	0.000	1	113.8580	0.000	1	113.2771	0.370	17	113.4754	0.493	54	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	4:3:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6]C[6a])(O[5]C[5,5,6])	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[6a,6a]O[5])(C[6a]O[6a]O)	O[5](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a,6a]C[5,6a])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6]C[6a])(O[5]C[5,5,6]){1|H<1>,1|O<1>,2|C<4>,2|O<2>,3|C<3>}	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[6a,6a]O[5])(C[6a]O[6a]O){2|C<4>,2|H<1>,3|C<3>}	O[5](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a,6a]C[5,6a]){1|H<1>,4|C<3>,5|C<4>}	114.1383	0.543	3	114.1383	0.295	3	114.1383	0.295	3	113.4754	0.493	54	111.0880	5.318	2773	111.1830	5.668	2878
727	727	976	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	O[5]	3:3:2:	4:3:3:	5:3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	Si[3x5]-5:C[5,6a]-3:	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(O[5]Si[3x5])	C[5,6a](C[3x5]C[5,6a]2Si[3x5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	O[5](Si[3x5]C[3x5]O[5]2O)(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(O[5]Si[3x5]){1|O<3>,2|H<1>,2|O<2>,3|C<3>}	C[5,6a](C[3x5]C[5,6a]2Si[3x5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<3>,2|O<2>,5|C<3>}	O[5](Si[3x5]C[3x5]O[5]2O)(C[5,6a]C[5,6a]C[6a]){1|H<1>,6|C<3>}	117.2353	0.552	3	117.2353	0.304	3	117.2353	0.304	3	117.2353	0.304	3	111.0880	5.318	2773	111.1830	5.668	2878