643	371	658	0:SP2_SP2_SP3	C[6a]	N[6a]	Si[6]	4:3:2:	3:3:	3:3:3:3:	Si[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:N[6]-3:N-3:	C[6a](Si[6]N[6]2N)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]Si[6])(C[6a]C[6a]H)	Si[6](C[6a]C[6a]N[6a])(N[6]C[6a]C[6])2(NHH)	C[6a](Si[6]N[6]2N)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	N[6a](C[6a]C[6a]Si[6])(C[6a]C[6a]H){1|C<3>,2|H<1>,3|N<3>}	Si[6](C[6a]C[6a]N[6a])(N[6]C[6a]C[6])2(NHH){1|C<4>,1|H<1>,8|C<3>}	116.0320	0.000	1	115.9535	0.012	2	115.9535	0.012	2	115.9535	0.012	2	115.9535	0.012	2	115.9535	0.012	2
643	371	658	0:SP2_SP2_SP3	C[6a]	N[6a]	Si[6]	4:3:2:	3:3:	3:3:3:3:	Si[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:N[6]-3:N-3:	C[6a](Si[6]N[6]2N)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]Si[6])(C[6a]C[6a]H)	Si[6](C[6a]C[6a]N[6a])(N[6]C[6a]C[6])2(NHH)	C[6a](Si[6]N[6]2N)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]Si[6])(C[6a]C[6a]H){1|C<3>,2|H<1>,3|N<3>}	Si[6](C[6a]C[6a]N[6a])(N[6]C[6a]C[6])2(NHH){1|C<4>,1|H<1>,8|C<3>}	115.8750	0.000	1	115.9535	0.012	2	115.9535	0.012	2	115.9535	0.012	2	115.9535	0.012	2	115.9535	0.012	2
643	371	727	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[5a,6]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6,6a]-3:	C[5a,6]-3:C[6,6a]-3:N[5a]-3:	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6,6a])	N[6a](C[6,6a]C[5a,6]C[6,6a])2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]N[6a])(N[5a]C[5a,6a]H)	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6,6a]){1|C<4>,4|C<3>,4|H<1>}	N[6a](C[6,6a]C[5a,6]C[6,6a])2{2|C<4>,2|N<3>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]N[6a])(N[5a]C[5a,6a]H){1|C<4>,2|H<1>,4|C<3>}	119.2780	0.146	2	119.2780	0.021	2	119.2780	0.021	2	118.2010	1.972	16	118.2010	1.972	16	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[5a,6]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a,6a]-3:	C[5a,6]-3:C[6,6a]-3:N[5a]-3:	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]N[6a])(N[5a]C[5a,6a]H)	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|C<4>,3|H<1>,5|C<3>}	N[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]N[6a])(N[5a]C[5a,6a]H){1|C<4>,2|H<1>,4|C<3>}	118.7850	0.000	1	118.7850	0.000	1	118.7850	0.000	1	118.2010	1.972	16	118.2010	1.972	16	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[5a,6]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:N[5a]-3:	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	N[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]N[6a])(N[5a]C[5a,6a]H)	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	N[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]O){1|C<2>,1|C<4>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]N[6a])(N[5a]C[5a,6a]H){1|C<4>,2|H<1>,4|C<3>}	117.4718	0.512	8	117.4718	0.262	8	117.4718	0.262	8	118.2010	1.972	16	118.2010	1.972	16	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[5a,6]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	N[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]N)	C[5a,6](C[6,6a]C[6,6a]N[6a])(C[5a,6]N[5a]C[6])(C[5a]N[5a]H)	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|C<4>,1|N<2>,2|C<3>,2|N<3>,3|H<1>}	N[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]N){1|C<2>,1|C<4>,3|C<3>}	C[5a,6](C[6,6a]C[6,6a]N[6a])(C[5a,6]N[5a]C[6])(C[5a]N[5a]H){1|C<4>,2|H<1>,3|C<3>}	116.8390	0.522	2	116.8390	0.272	2	116.8390	0.272	2	118.2010	1.972	16	118.2010	1.972	16	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[5a,6]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5a,6]-3:N[5a]-3:	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	N[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)	C[5a,6](C[6,6a]C[6,6a]N[6a])(C[5a,6]C[5a]C[6])(N[5a]N[5a]H)	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	N[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[6,6a]C[6,6a]N[6a])(C[5a,6]C[5a]C[6])(N[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	119.7380	0.000	1	119.7380	0.000	1	119.7380	0.000	1	118.2010	1.972	16	118.2010	1.972	16	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[5a,6]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:N[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a,6a]-3:	C[5a,6]-3:C[6,6a]-3:N[5a]-3:	C[6,6a](C[5a,6]C[5a,6]N[5a])(N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6,6a]C[5a,6]N[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]N[6,6a]N[6a])(N[5a]C[5a,6a]C)	C[6,6a](C[5a,6]C[5a,6]N[5a])(N[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	N[6a](C[6,6a]C[5a,6]N[6,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]N[6,6a]N[6a])(N[5a]C[5a,6a]C){1|C<4>,5|C<3>}	121.9690	0.000	1	121.9690	0.000	1	121.9690	0.000	1	118.2010	1.972	16	118.2010	1.972	16	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[5a,6]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:N[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[6,6a](C[5a,6]N[5a,6]C[5a])(N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6,6a]C[5a,6]N[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6](C[6,6a]N[6,6a]N[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)	C[6,6a](C[5a,6]N[5a,6]C[5a])(N[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	N[6a](C[6,6a]C[5a,6]N[6,6a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5a,6](C[6,6a]N[6,6a]N[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H){1|C<4>,2|H<1>,4|C<3>}	118.7160	0.000	1	118.7160	0.000	1	118.7160	0.000	1	118.2010	1.972	16	118.2010	1.972	16	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[5,6,6a]	3:3:2:	3:3:	3:4:3:	C[5,6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a,6a]-3:	C[6a,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[5,6,6a]C[6a,6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,5,6]C[5,5]C)(C[6a,6a]C[6a,6a]N[6a])	C[6a,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]){2|H<1>,3|C<4>,4|C<3>}	N[6a](C[6a,6a]C[5,6,6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,5,6]C[5,5]C)(C[6a,6a]C[6a,6a]N[6a]){1|H<1>,1|N<2>,1|O<1>,2|C<4>,4|C<3>}	118.4255	0.083	2	118.4255	0.007	2	118.4255	0.007	2	118.4255	0.007	2	118.4255	0.007	2	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:2:	C[5,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[5,6a]-3:S[5]-2:	C[6a,6a](C[5,6a]C[5,6a]S[5])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])	C[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[6a]N[5])(S[5]S[5])	C[6a,6a](C[5,6a]C[5,6a]S[5])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	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>}	119.6503	0.654	3	119.6503	0.428	3	119.6503	0.428	3	118.5643	2.631	8	118.8501	2.144	11	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:2:	C[5,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[6a,6a](C[5,6a]C[5,6a]O[5])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6]C[6a])(O[5]C[5])	C[6a,6a](C[5,6a]C[5,6a]O[5])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6]C[6a])(O[5]C[5]){1|C<4>,3|H<1>,4|C<3>}	119.3370	0.000	1	119.3370	0.000	1	119.3370	0.000	1	118.5643	2.631	8	118.8501	2.144	11	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-2:	C[6a,6a](C[6a,6a]C[5,6a]N[6a])(C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[5,6a])	C[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]S[5])(C[5]C[5])	C[6a,6a](C[6a,6a]C[5,6a]N[6a])(C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a]){1|C<2>,1|S<2>,4|C<3>}	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[5,6a]){1|C<2>,1|N<2>,1|S<2>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]S[5])(C[5]C[5]){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	119.0725	0.402	2	119.0725	0.162	2	119.0725	0.162	2	118.5643	2.631	8	118.8501	2.144	11	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:N[5]-2:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[6a,6a]N[5])(N[5]S[5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(N[6a]C[6a]){1|N<2>,1|S<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,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>}	116.0405	0.086	2	116.0405	0.007	2	116.0405	0.007	2	118.5643	2.631	8	118.8501	2.144	11	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)	C[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|O<1>,2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O){1|H<1>,5|C<3>}	120.0350	0.000	1	120.0350	0.000	1	120.0350	0.000	1	120.0350	0.000	1	118.8501	2.144	11	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:4:	C[5,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]C)	C[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]N[6a]O[5])(C[5]C[5]HH)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	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>}	119.8240	0.000	1	119.8240	0.000	1	119.4010	0.358	2	119.4010	0.358	2	118.8501	2.144	11	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:4:	C[5,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]C)	C[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]N[6a]S[5])(C[5]C[5]HH)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,1|S<2>,2|C<4>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]N[6a]S[5])(C[5]C[5]HH){2|H<1>,3|C<3>}	118.9780	0.000	1	118.9780	0.000	1	119.4010	0.358	2	119.4010	0.358	2	118.8501	2.144	11	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[5a,6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[5,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]N[6a])(S[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[5a,6a]N[6a])(N[6a]C[6a,6a]){1|S<2>,5|C<3>}	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[5,6a]){1|C<2>,1|N<2>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]N[6a])(S[5a]C[5a]){1|N<2>,2|H<1>,3|C<3>}	120.1350	0.180	2	120.1350	0.032	2	120.1362	0.014	4	120.6423	1.593	8	119.6925	1.373	54	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:S[5a]-2:	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[5a,6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]N[6a])(S[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[5a,6a]N[6a])(N[6a]C[6a,6a]){1|S<2>,5|C<3>}	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])2{1|N<2>,2|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]N[6a])(S[5a]C[5a]){1|N<2>,2|H<1>,3|C<3>}	120.1375	0.091	2	120.1375	0.008	2	120.1362	0.014	4	120.6423	1.593	8	119.6925	1.373	54	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]N[6])	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(O[5a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]N[6]){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|C<4>}	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(O[5a]C[5a]){1|H<1>,1|N<2>,3|C<3>}	122.6345	0.400	2	122.6345	0.160	2	122.6345	0.160	2	120.6423	1.593	8	119.6925	1.373	54	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[5a]C[6a])(N[5a]N[5a])	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,1|N<2>,3|C<3>}	119.4810	0.000	1	119.4810	0.000	1	119.6620	0.066	2	120.6423	1.593	8	119.6925	1.373	54	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[6a]N[5a])(N[5a]C[5a])	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[6a]N[5a])(N[5a]C[5a]){1|H<1>,1|N<2>,3|C<3>}	119.8430	0.000	1	119.8430	0.000	1	119.6620	0.066	2	120.6423	1.593	8	119.6925	1.373	54	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]N[6a])(N[6a]C[5a,6a])	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]N[6a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]N[6a])(N[6a]C[5a,6a]){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]N[5a]){1|S<2>,2|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]N[6a])(C[5a]C[5a]H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	118.3790	0.115	2	118.3790	0.013	2	118.3790	0.013	2	119.5274	1.181	46	119.6925	1.373	54	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]N[6a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|S<2>,5|C<3>}	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]N[6a])(C[5a]C[5a]H){1|C<4>,1|N<2>,1|S<2>,2|C<3>}	119.1223	0.283	6	119.1223	0.080	6	118.9397	0.621	10	119.5274	1.181	46	119.6925	1.373	54	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])2	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]N[6a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|S<2>,5|C<3>}	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])2{1|N<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]N[6a])(C[5a]C[5a]H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	118.6658	1.250	4	118.6658	1.563	4	118.9397	0.621	10	119.5274	1.181	46	119.6925	1.373	54	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]){1|I<1>,1|S<2>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,6|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H){1|H<1>,4|C<3>}	117.7810	0.000	1	117.7810	0.000	1	117.7810	0.000	1	119.5274	1.181	46	119.6925	1.373	54	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,2|N<2>,4|C<3>}	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a]){1|N<2>,5|C<3>}	120.1580	0.000	1	120.1580	0.000	1	119.9550	0.082	2	119.5274	1.181	46	119.6925	1.373	54	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]){1|C<2>,1|H<1>,2|N<2>,3|C<3>}	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[6a]N[5a])(C[5a]N[5a]C){1|N<2>,3|C<3>}	119.7520	0.000	1	119.7520	0.000	1	119.9550	0.082	2	119.5274	1.181	46	119.6925	1.373	54	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]N[6a]O[5a])	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|O<2>,2|H<1>,2|N<2>,3|C<3>}	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]N[6a]H){4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]N[6a]O[5a]){1|H<1>,5|C<3>}	121.7300	0.000	1	121.7300	0.000	1	121.7300	0.000	1	119.5274	1.181	46	119.6925	1.373	54	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[5a]C[5a,6a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|O<2>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[5a]C[5a,6a]H){1|H<1>,5|C<3>}	119.7675	0.142	2	119.7675	0.020	2	119.7675	0.020	2	119.5274	1.181	46	119.6925	1.373	54	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6]-3:C[5a,6a]-3:	C[6a,6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]N[6a]O)	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>}	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]N[6a]O){5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a]){2|C<4>,2|H<1>,3|C<3>}	117.6620	0.000	1	117.6620	0.000	1	117.6620	0.000	1	119.5274	1.181	46	119.6925	1.373	54	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]N[6a]N)	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<3>,1|N<2>,1|O<1>,1|S<2>,2|C<4>,2|N<3>}	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]N[6a]N){5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C){1|C<4>,3|C<3>}	119.0040	0.000	1	119.0040	0.000	1	118.2907	0.467	3	119.5274	1.181	46	119.6925	1.373	54	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]N[6a]O)	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>}	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]N[6a]O){5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C){1|C<4>,3|C<3>}	117.9340	0.413	2	117.9340	0.171	2	118.2907	0.467	3	119.5274	1.181	46	119.6925	1.373	54	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){4|C<3>,4|H<1>}	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H){1|C<4>,1|H<1>,4|C<3>}	120.2925	0.074	2	120.2925	0.006	2	120.1833	0.940	7	119.5274	1.181	46	119.6925	1.373	54	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){4|C<3>,4|H<1>}	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H){2|H<1>,4|C<3>}	119.4627	0.853	3	119.4627	0.727	3	120.1833	0.940	7	119.5274	1.181	46	119.6925	1.373	54	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<2>,3|C<3>,4|H<1>}	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H){1|C<4>,1|H<1>,3|C<3>}	120.5580	0.000	1	120.5580	0.000	1	120.1833	0.940	7	119.5274	1.181	46	119.6925	1.373	54	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2){1|N<2>,1|N<3>,5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H){1|H<1>,1|N<2>,3|C<3>}	121.7520	0.000	1	121.7520	0.000	1	120.1833	0.940	7	119.5274	1.181	46	119.6925	1.373	54	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(N[6a,6a]C[6a]2)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[5a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[6a,6a]N[6a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(N[6a,6a]C[6a]2)(N[6a]C[6a,6a]){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	N[6a](C[6a,6a]C[5a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[6a,6a]N[6a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C){1|C<4>,2|H<1>,3|C<3>}	121.9140	0.000	1	121.9140	0.000	1	121.9140	0.000	1	119.5274	1.181	46	119.6925	1.373	54	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])	C[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]){1|N<3>,6|C<3>}	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a]){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	119.6758	0.419	12	119.6758	0.176	12	119.6758	0.176	12	119.5274	1.181	46	119.6925	1.373	54	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]){1|H<1>,1|N<3>,5|C<3>}	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a]){1|H<1>,1|N<2>,2|C<4>,4|C<3>}	121.4090	0.421	2	121.4090	0.178	2	121.4090	0.178	2	119.5274	1.181	46	119.6925	1.373	54	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a,6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]N[6a])	C[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a,6a]2)(N[6a]C[6a]){1|H<1>,1|S<2>,5|C<3>}	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]N[6a]){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	119.2445	0.046	2	119.2445	0.002	2	119.2445	0.002	2	119.5274	1.181	46	119.6925	1.373	54	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	2:3:3:	3:3:	3:2:2:	N[6a]-2:C[5a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a](N[6a]C[6a,6a])(C[5a]N[5a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])2	C[6a](N[6a]C[6a,6a])(C[5a]N[5a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){2|H<1>,2|N<2>,3|C<3>}	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])2{1|Re<6>,1|H<1>,2|C<3>}	116.1795	0.593	2	116.1795	0.352	2	116.1795	0.352	2	116.1795	0.352	2	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	2:3:3:	3:3:	3:3:2:	N[6a]-2:C[5a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a](N[6a]C[6a,6a])(C[5a]N[5a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	C[6a](N[6a]C[6a,6a])(C[5a]N[5a]2)(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	116.7410	0.000	1	116.7410	0.000	1	118.3425	5.130	2	117.0320	5.236	4	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	2:3:3:	3:3:	3:3:2:	N[6a]-2:C[5a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a](N[6a]C[6a,6a])(C[5a]N[5a]2)(C[6a]N[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[6a](N[6a]C[6a,6a])(C[5a]N[5a]2)(C[6a]N[6a]H){1|C<4>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,1|N<2>,3|C<3>}	119.9440	0.000	1	119.9440	0.000	1	118.3425	5.130	2	117.0320	5.236	4	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	2:3:3:	3:3:	3:3:2:	N[6a]-2:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a](N[6a]N[5a,6a])(C[5a]N[5a]2)(C[6a]N[6a]N)	N[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]N[5a])	C[6a](N[6a]N[5a,6a])(C[5a]N[5a]2)(C[6a]N[6a]N){1|C<3>,1|H<1>,3|N<2>}	N[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a]C[6a]){2|N<3>,4|N<2>}	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]N[5a]){1|N<2>,2|N<3>}	114.3600	0.000	1	114.3600	0.000	1	114.3600	0.000	1	117.0320	5.236	4	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	2:3:3:	3:3:	3:3:2:	N[6a]-2:C[6a]-3:C[5a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Br)(C[5a]N[5a]2)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[5a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]2)(N[5a]C[5a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Br)(C[5a]N[5a]2){1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[5a]C[6a]){1|Br<1>,1|N<3>,2|N<2>,3|C<3>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]2)(N[5a]C[5a]){1|Br<1>,1|S<2>,2|H<1>,3|C<3>}	117.0830	0.000	1	117.0830	0.000	1	117.0830	0.000	1	117.0320	5.236	4	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[5a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a](N[6a]C[6a,6a])(C[5a]C[5a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)(C[5a]N[5a,6a]C)	C[6a](N[6a]C[6a,6a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){2|H<1>,5|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)(C[5a]N[5a,6a]C){1|H<1>,4|C<3>}	116.6190	0.000	1	116.6190	0.000	1	117.3780	0.437	3	117.6976	0.470	5	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[5a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a](N[6a]C[6a,6a])(C[5a]C[5a]2)(C[6a]N[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]C)(C[5a]N[5a]O)	C[6a](N[6a]C[6a,6a])(C[5a]C[5a]2)(C[6a]N[6a]O){1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]C)(C[5a]N[5a]O){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	117.7575	0.098	2	117.7575	0.010	2	117.3780	0.437	3	117.6976	0.470	5	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[5a]-3:N[6a]-3:	N[5a,6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](N[6a]N[5a,6a])(C[5a]C[5a]2)(N[6a]C[6a]H)	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a]N[6a])	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]N[6a]2)	C[6a](N[6a]N[5a,6a])(C[5a]C[5a]2)(N[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a]N[6a]){2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]N[6a]2){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	117.8300	0.000	1	118.1770	0.241	2	118.1770	0.241	2	117.6976	0.470	5	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[5a]-3:N[6a]-3:	N[5a,6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](N[6a]N[5a,6a])(C[5a]C[5a]2)(N[6a]C[6a]H)	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a]N[6a])	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]N[6a]2)	C[6a](N[6a]N[5a,6a])(C[5a]C[5a]2)(N[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a]N[6a]){2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]N[6a]2){1|H<1>,1|N<3>,4|C<3>}	118.5240	0.000	1	118.1770	0.241	2	118.1770	0.241	2	117.6976	0.470	5	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:2:2:	3:3:	3:2:3:	C[5a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[6a](C[5a]N[5a]2)(N[6a]C[6a])2	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]N[6a]2)	C[6a](C[5a]N[5a]2)(N[6a]C[6a])2{1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]N[6a]2){4|C<3>}	116.9130	1.197	4	116.9130	1.433	4	116.9130	1.433	4	116.9130	1.433	4	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:2:2:	3:3:	3:3:2:	C[5a]-3:N[6a]-2:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a]C[5a,6a]N[5a])(N[6a]C[5,6a])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[5a]N[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a,6a]N[5a])(N[6a]C[5,6a])(N[6a]C[6a]){3|C<3>,3|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[5a]N[6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	115.9270	0.000	1	115.9270	0.000	1	115.9270	0.000	1	116.3929	3.038	14	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:2:2:	3:3:	3:3:2:	C[5a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a]C[5a,6a]N[5a])(N[6a]C[5,6a])(N[6a]C[6a])	N[6a](C[6a]C[5a]N[6a])(C[6a]C[5,6a]N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a,6a]N[5a])(N[6a]C[5,6a])(N[6a]C[6a]){3|C<3>,3|N<3>}	N[6a](C[6a]C[5a]N[6a])(C[6a]C[5,6a]N){1|C<4>,1|N<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	116.2570	0.000	1	116.2570	0.000	1	116.1052	2.230	5	116.3929	3.038	14	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:2:2:	3:3:	3:3:2:	C[5a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a]C[5a,6a]N[5a])(N[6a]C[6a])2	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a,6a]N[5a])(N[6a]C[6a])2{3|C<3>,3|N<3>}	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]N){1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	116.0673	1.722	4	116.0673	2.964	4	116.1052	2.230	5	116.3929	3.038	14	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:2:2:	3:3:	3:3:2:	C[5a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a])2	N[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]N)	C[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a])2{1|C<3>,1|H<1>,1|N<2>,3|N<3>}	N[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]N){1|N<2>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]N[5a]){1|H<1>,3|C<3>}	116.4177	2.657	4	116.4177	7.060	4	116.4177	7.060	4	116.3929	3.038	14	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:2:2:	3:3:	3:3:2:	C[5a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[6a](C[5a]C[5a]O[5a])(N[6a]C[6a])2	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]N)	C[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(N[6a]C[6a])2{1|H<1>,1|N<3>,1|S<2>,3|C<3>}	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]N){1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(O[5a]C[5a]){2|C<3>,2|H<1>}	117.7960	0.000	1	117.7960	0.000	1	116.2155	4.996	2	116.3929	3.038	14	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:2:2:	3:3:	3:3:2:	C[5a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[6a](C[5a]C[5a]O[5a])(N[6a]C[6a])2	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]S)	C[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(N[6a]C[6a])2{1|H<1>,1|N<3>,1|S<2>,3|C<3>}	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]S){1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(O[5a]C[5a]){2|C<3>,2|H<1>}	114.6350	0.000	1	114.6350	0.000	1	116.2155	4.996	2	116.3929	3.038	14	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:2:2:	3:3:	3:3:2:	C[5a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:S[5a]-2:	C[6a](C[5a]C[5a]S[5a])(N[6a]C[6a])2	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)	C[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(N[6a]C[6a])2{3|C<3>,3|H<1>}	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H){1|S<2>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(S[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	117.4730	1.172	2	117.4730	1.374	2	117.4730	1.374	2	116.3929	3.038	14	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:2:2:	3:3:	3:3:3:	C[5a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a]C[5a]2)(N[6a]C[6a])2	N[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]N)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(C[6a]N[6a]2)	C[6a](C[5a]C[5a]2)(N[6a]C[6a])2{1|N<2>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]N){3|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(C[6a]N[6a]2){1|H<1>,2|C<3>}	116.3275	0.185	2	116.3275	0.034	2	117.0920	0.791	4	118.0106	5.888	9	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:2:2:	3:3:	3:3:3:	C[5a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a]C[5a]2)(N[6a]C[6a])2	N[6a](C[6a]C[5a]N[6a])2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(C[6a]N[6a]2)	C[6a](C[5a]C[5a]2)(N[6a]C[6a])2{1|N<2>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[5a]N[6a])2{5|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(C[6a]N[6a]2){1|H<1>,2|C<3>}	117.8565	0.028	2	117.8565	0.001	2	117.0920	0.791	4	118.0106	5.888	9	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:2:2:	3:3:	3:3:3:	C[5a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a])2	N[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]F)	C[5a](C[5a]C[5a]N)(C[6a]N[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a])2{1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|F<1>}	N[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]F){1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]N)(C[6a]N[6a]2)(N[5a]C[5a]H){2|C<3>,2|H<1>}	118.2575	0.296	2	118.2575	0.088	2	117.5217	2.904	4	118.0106	5.888	9	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:2:2:	3:3:	3:3:3:	C[5a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a])2	N[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]N)	C[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a])2{1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|N<3>}	N[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]N){1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	116.7860	2.541	2	116.7860	6.458	2	117.5217	2.904	4	118.0106	5.888	9	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:2:2:	3:3:	3:3:3:	C[5a]-3:N[6a]-2:O[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(O[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]O[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]O[6a])(C[5a]N[5a]H)	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(O[6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]O[6a]){1|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]O[6a])(C[5a]N[5a]H){2|H<1>,4|C<3>}	123.6400	0.000	1	123.6400	0.000	1	123.6400	0.000	1	118.0106	5.888	9	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:2:3:	3:3:	3:2:2:	C[5a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[6a](C[5a]N[5a]O[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a])(O[5a]C[5a,6a])	C[6a](C[5a]N[5a]O[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a])(O[5a]C[5a,6a]){1|H<1>,4|C<3>}	117.6230	0.000	1	117.6230	0.000	1	117.6230	0.000	1	115.9248	1.432	6	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:2:3:	3:3:	3:2:2:	C[5a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[6a](C[5a]N[5a]S[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[5a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a])(S[5a]C[5a,6a])	C[6a](C[5a]N[5a]S[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[5a]C[6a]){1|H<1>,1|S<2>,2|N<2>,3|C<3>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a])(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	116.0240	0.028	2	116.0240	0.001	2	115.5852	0.925	5	115.9248	1.432	6	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:2:3:	3:3:	3:2:2:	C[5a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[6a](C[5a]N[5a]S[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a])(S[5a]C[5a,6a])	C[6a](C[5a]N[5a]S[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){1|H<1>,1|N<2>,1|O<2>,1|S<2>,3|C<3>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a])(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	115.2927	1.237	3	115.2927	1.530	3	115.5852	0.925	5	115.9248	1.432	6	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:2:3:	3:3:	3:3:2:	C[5a]-3:N[6a]-2:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[5a]C[5a]S[5a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a]C[6a])	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a]C[6a]){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	116.2270	0.000	1	116.0135	0.091	2	116.0135	0.091	2	116.2045	2.798	15	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:2:3:	3:3:	3:3:2:	C[5a]-3:N[6a]-2:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[5a]C[5a]S[5a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a]C[6a])	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a]C[6a]){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Cl<1>,2|C<3>,2|H<1>}	115.8000	0.000	1	116.0135	0.091	2	116.0135	0.091	2	116.2045	2.798	15	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:2:3:	3:3:	3:3:2:	C[5a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]N[5a]){1|H<1>,3|C<3>}	116.3620	0.000	1	116.3620	0.000	1	116.3620	0.000	1	116.2045	2.798	15	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:2:3:	3:3:	3:3:2:	C[5a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:O[5a]-2:	C[6a](C[5a]C[5a]O[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(O[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	117.2270	0.000	1	117.2270	0.000	1	117.2270	0.000	1	116.2045	2.798	15	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:2:3:	3:3:	3:3:2:	C[5a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[5a]C[5a]S[5a])(N[6a]C[6a,6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[5a]C[6a])	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(N[6a]C[6a,6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[5a]C[6a]){1|C<4>,1|S<2>,5|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	113.0140	0.000	1	113.0140	0.000	1	115.6210	3.192	7	116.2045	2.798	15	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:2:3:	3:3:	3:3:2:	C[5a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[5a]C[5a]S[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){1|S<2>,2|H<1>,4|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|I<1>,2|C<3>,2|H<1>}	117.0770	0.000	1	116.6190	0.420	2	115.6210	3.192	7	116.2045	2.798	15	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:2:3:	3:3:	3:3:2:	C[5a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[5a]C[5a]S[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){1|S<2>,2|H<1>,4|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	116.1610	0.000	1	116.6190	0.420	2	115.6210	3.192	7	116.2045	2.798	15	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:2:3:	3:3:	3:3:2:	C[5a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[5a]C[5a]S[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]I)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|I<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){1|S<2>,2|H<1>,4|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]I)(S[5a]C[5a]){1|I<1>,2|C<3>,2|H<1>}	113.6660	0.000	1	113.6660	0.000	1	115.6210	3.192	7	116.2045	2.798	15	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:2:3:	3:3:	3:3:2:	C[5a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[5a]C[5a]S[5a])(N[6a]C[6a,6a])(C[6a]N[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(N[6a]C[6a,6a])(C[6a]N[6a]C){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){1|C<2>,1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<2>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	115.5440	0.000	1	115.5440	0.000	1	115.6210	3.192	7	116.2045	2.798	15	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:2:3:	3:3:	3:3:2:	C[5a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[5a]C[5a]S[5a])(N[6a]C[6a,6a])(C[6a]N[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(N[6a]C[6a,6a])(C[6a]N[6a]H){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|N<2>,3|H<1>}	118.0880	0.000	1	118.0880	0.000	1	115.6210	3.192	7	116.2045	2.798	15	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:2:3:	3:3:	3:3:2:	C[5a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[5a]C[5a]S[5a])(N[6a]C[6a,6a])(C[6a]N[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[5a](C[6a]C[6a]N[6a])(C[5a]S[5a]H)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(N[6a]C[6a,6a])(C[6a]N[6a]O){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){1|H<1>,1|N<3>,1|O<1>,1|S<2>,3|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]S[5a]H)(S[5a]C[5a]){1|C<3>,1|N<3>,2|O<1>}	115.7970	0.000	1	115.7970	0.000	1	115.6210	3.192	7	116.2045	2.798	15	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:2:3:	3:3:	3:3:2:	C[5a]-3:N[6a]-2:N[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a,6a])(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]N[6a])	C[5a](C[5a]N[5a]H)(C[6a]N[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a,6a])(N[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]N[6a]){1|N<2>,2|H<1>,4|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]N[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	120.0400	0.000	1	120.0400	0.000	1	120.0400	0.000	1	116.2045	2.798	15	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:2:3:	3:3:	3:3:2:	C[5a]-3:N[6a]-2:N[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[6a](C[5a]C[5a]O[5a])(N[6a]C[6a,6a])(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]N[6a])	C[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(N[6a]C[6a,6a])(N[6a]C[6a]2){1|H<1>,1|O<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]N[6a]){1|H<1>,1|O<2>,5|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(O[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	116.9920	0.000	1	116.9920	0.000	1	116.9920	0.000	1	116.2045	2.798	15	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C[5a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(C[5a]N[5a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C)(N[5a]C[5a])	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(C[5a]N[5a]2){1|C<4>,1|N<2>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){1|H<1>,1|N<3>,2|N<2>,3|C<3>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	115.5360	0.426	2	115.5360	0.181	2	115.5360	0.181	2	116.2045	2.798	15	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[5a,6a])(C[6a]C[6a]C)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[5a,6a])(C[6a]C[6a]C){1|H<1>,2|N<3>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a]C[6a]){1|C<2>,1|N<2>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H){1|C<2>,2|H<1>,4|C<3>}	115.1590	1.266	4	115.1590	1.603	4	115.1590	1.603	4	116.7017	3.323	26	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a]C[5a,6a]N[5a])(N[6a]C[5a,6a])(C[6a]C[6a]H)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[5a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a]N)	C[6a](C[5a]C[5a,6a]N[5a])(N[6a]C[5a,6a])(C[6a]C[6a]H){1|N<2>,2|N<3>,4|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[5a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a]N){2|H<1>,4|C<3>}	113.5600	0.000	1	113.5600	0.000	1	113.5600	0.000	1	116.7017	3.323	26	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[6a]-2:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-3:	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[5a]C[6a])	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[5a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	113.8440	0.000	1	113.8440	0.000	1	117.0993	7.958	3	116.7017	3.323	26	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[6a]-2:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-3:	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[5a]C[6a])	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[5a]C[6a]){1|Pd<4>,1|H<1>,1|N<3>,4|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	118.7270	0.139	2	118.7270	0.019	2	117.0993	7.958	3	116.7017	3.323	26	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a]C[5a,6]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[6a]C[6a]N[6a])(C[5a]C[5a,5a]H)	C[6a](C[5a]C[5a,6]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){2|H<1>,5|C<3>}	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[6a]C[6a]N[6a])(C[5a]C[5a,5a]H){2|H<1>,5|C<3>}	117.8590	0.000	1	117.8590	0.000	1	117.8590	0.000	1	116.7017	3.323	26	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]N[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a])	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]N[6a]O){1|N<3>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a]){1|N<2>,1|O<2>,2|H<1>,5|C<3>}	119.9140	0.000	1	119.9140	0.000	1	119.9140	0.000	1	116.7017	3.323	26	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H){1|N<2>,1|S<4>,2|H<1>,3|C<3>}	117.5910	0.000	1	117.8060	0.092	2	117.1227	1.539	6	116.7017	3.323	26	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H){1|C<4>,2|H<1>,4|C<3>}	118.0210	0.000	1	117.8060	0.092	2	117.1227	1.539	6	116.7017	3.323	26	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]N[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]N[6a]C){1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){1|C<2>,1|H<1>,1|N<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H){1|C<2>,1|C<4>,1|H<1>,1|N<2>,3|C<3>}	116.7765	0.098	2	116.1930	1.026	3	117.1227	1.539	6	116.7017	3.323	26	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]N[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]N[6a]C){1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	115.0260	0.000	1	116.1930	1.026	3	117.1227	1.539	6	116.7017	3.323	26	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]N[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]N[6a]O){1|H<1>,1|N<3>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	118.5450	0.000	1	118.5450	0.000	1	117.1227	1.539	6	116.7017	3.323	26	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-3:	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5a]C[6a])	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	117.1150	0.785	2	117.1150	0.616	2	117.1150	0.616	2	116.7017	3.323	26	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:C[5a]-3:	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a,6a])(C[6a]N[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a,6a])(C[6a]N[6a]C){1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){1|C<2>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<2>,1|N<2>,2|H<1>,3|C<3>}	118.4270	0.000	1	118.4270	0.000	1	118.4270	0.000	1	116.7017	3.323	26	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[6a]-2:N[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a,6a])(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]N[6a])	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]N[6a]2)	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a,6a])(N[6a]C[6a]C){1|C<4>,1|O<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]N[6a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]N[6a]2){1|C<4>,4|C<3>}	118.5100	0.119	2	118.5100	0.014	2	118.5100	0.014	2	116.7017	3.323	26	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:C[5a]-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a](C[6,6a]C[6,6a]2)(N[6a]C[6,6a])(C[5a]C[5a]2)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[5a])	C[5a](C[6a]C[6,6a]N[6a])(C[5a]C[6a]N[5a])(C[5a]N[5a]H)	C[6a](C[6,6a]C[6,6a]2)(N[6a]C[6,6a])(C[5a]C[5a]2){1|H<1>,1|N<2>,1|N<3>,2|C<4>,4|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	C[5a](C[6a]C[6,6a]N[6a])(C[5a]C[6a]N[5a])(C[5a]N[5a]H){6|C<3>}	113.6960	0.000	1	113.6960	0.000	1	113.6960	0.000	1	116.7017	3.323	26	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[5a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(C[5a]C[5a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(C[5a]C[5a]2){1|C<4>,1|S<2>,2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|N<3>,2|C<3>}	117.2620	0.000	1	117.2620	0.000	1	116.2170	0.534	4	116.7017	3.323	26	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[5a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(C[5a]C[5a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(C[5a]S[5a]H)	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(C[5a]C[5a]2){1|S<2>,2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(C[5a]S[5a]H){1|H<1>,1|N<2>,2|C<3>}	115.7135	0.032	2	115.7135	0.001	2	116.2170	0.534	4	116.7017	3.323	26	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[5a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[5a]C[5a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(C[5a]O[5a]C)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[5a]C[5a]2){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(C[5a]O[5a]C){1|N<2>,3|C<3>}	116.1790	0.000	1	116.1790	0.000	1	116.2170	0.534	4	116.7017	3.323	26	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:2:	3:3:2:	C[5,6a]-3:C[5a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[5a]-3:O[5a]-2:	C[6a](C[5,6a]C[5,6a]2)(C[5a]C[5a]O[5a])(N[6a]N[6a])	N[6a](C[6a]C[5,6a]C[5a])(N[6a]C[6a])	C[5a](C[6a]C[5,6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a])	C[6a](C[5,6a]C[5,6a]2)(C[5a]C[5a]O[5a])(N[6a]N[6a]){1|H<1>,6|C<3>}	N[6a](C[6a]C[5,6a]C[5a])(N[6a]C[6a]){1|O<2>,4|C<3>}	C[5a](C[6a]C[5,6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	111.2840	0.386	2	111.2840	0.149	2	113.4948	3.268	6	112.8933	5.552	18	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:2:	3:3:2:	C[5,6a]-3:C[5a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[5a]-3:O[5a]-2:	C[6a](C[5,6a]C[5,6a]C[5])(C[5a]C[5a]O[5a])(N[6a]N[6a])	N[6a](C[6a]C[5,6a]C[5a])(N[6a]C[6a])	C[5a](C[6a]C[5,6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a])	C[6a](C[5,6a]C[5,6a]C[5])(C[5a]C[5a]O[5a])(N[6a]N[6a]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[6a](C[6a]C[5,6a]C[5a])(N[6a]C[6a]){1|O<2>,4|C<3>}	C[5a](C[6a]C[5,6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a]){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	114.6003	0.713	4	114.6003	0.509	4	113.4948	3.268	6	112.8933	5.552	18	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:2:	3:3:2:	C[5,6a]-3:C[5a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[5,6a]C[5,6a]2)(C[5a]C[5a]S[5a])(N[6a]N[6a])	N[6a](C[6a]C[5,6a]C[5a])(N[6a]C[6a])	C[5a](C[6a]C[5,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5,6a]C[5,6a]2)(C[5a]C[5a]S[5a])(N[6a]N[6a]){1|H<1>,6|C<3>}	N[6a](C[6a]C[5,6a]C[5a])(N[6a]C[6a]){1|S<2>,4|C<3>}	C[5a](C[6a]C[5,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	114.2440	0.000	1	114.2440	0.000	1	113.0717	1.031	3	112.8933	5.552	18	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:2:	3:3:2:	C[5,6a]-3:C[5a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[5,6a]C[5,6a]C[5])(C[5a]C[5a]S[5a])(N[6a]N[6a])	N[6a](C[6a]C[5,6a]C[5a])(N[6a]C[6a])	C[5a](C[6a]C[5,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5,6a]C[5,6a]C[5])(C[5a]C[5a]S[5a])(N[6a]N[6a]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[6a](C[6a]C[5,6a]C[5a])(N[6a]C[6a]){1|S<2>,4|C<3>}	C[5a](C[6a]C[5,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	112.4855	0.029	2	112.4855	0.001	2	113.0717	1.031	3	112.8933	5.552	18	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[5a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]O[5a])(N[6a]N[6a])	N[6a](C[6a]C[5a,6a]C[5a])(N[6a]C[6a])	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]O[5a])(N[6a]N[6a]){1|H<1>,6|C<3>}	N[6a](C[6a]C[5a,6a]C[5a])(N[6a]C[6a]){1|O<2>,4|C<3>}	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a]){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	109.3790	0.231	4	109.3790	0.053	4	109.3790	0.053	4	112.8933	5.552	18	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:2:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[5a]-3:O[5a]-2:	C[6a](C[5a]C[5a]O[5a])(C[6a]C[5a]N[6a])(N[6a]N[6a])	N[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[5a]N[6a])(N[6a]N[6a]){1|H<1>,1|O<2>,4|C<3>}	N[6a](C[6a]C[5a]C[6a])(N[6a]C[6a]){1|N<2>,1|O<2>,3|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,2|H<1>,2|N<2>}	114.0890	0.000	1	114.0890	0.000	1	114.0890	0.000	1	112.8933	5.552	18	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:2:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(N[6a]N[6a]){2|H<1>,3|C<3>}	N[6a](C[6a]C[5a]C[6a])(N[6a]C[6a]){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|N<2>,3|H<1>}	115.7900	0.044	2	115.7900	0.002	2	115.7900	0.002	2	112.8933	5.552	18	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:2:	3:3:2:	C[6a,6a]-3:C[5a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]S[5a])(N[6a]N[6a])	N[6a](C[6a]C[6a,6a]C[5a])(N[6a]C[6a])	C[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]S[5a])(N[6a]N[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]C[5a])(N[6a]C[6a]){1|S<2>,4|C<3>}	C[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	114.3550	1.290	2	114.3550	1.663	2	114.3550	1.663	2	112.8933	5.552	18	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[5a]-3:N[5a]-3:	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5a]C[6a])(N[6a]C[6a]){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	114.8843	0.228	3	114.8843	0.052	3	114.8843	0.052	3	114.8843	0.052	3	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:2:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a]){1|Ir<6>,1|H<1>,3|C<3>}	118.7480	0.000	1	116.7532	2.159	5	117.4358	1.352	15	116.1855	2.358	42	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:2:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a]){1|N<3>,2|C<3>,2|H<1>}	116.9950	0.000	1	116.7532	2.159	5	117.4358	1.352	15	116.1855	2.358	42	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:2:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a]){2|C<3>,3|H<1>}	115.3095	0.087	2	116.7532	2.159	5	117.4358	1.352	15	116.1855	2.358	42	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:2:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a]){2|H<1>,3|C<3>}	117.4040	0.000	1	116.7532	2.159	5	117.4358	1.352	15	116.1855	2.358	42	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:2:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])2	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])2{1|C<4>,1|H<1>,2|C<3>}	117.0180	0.000	1	117.1500	0.968	4	117.4358	1.352	15	116.1855	2.358	42	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:2:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])2	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])2{1|Pt<4>,1|H<1>,2|C<3>}	118.5750	0.000	1	117.1500	0.968	4	117.4358	1.352	15	116.1855	2.358	42	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:2:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])2	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])2{1|Re<6>,1|H<1>,2|C<3>}	116.5035	0.136	2	117.1500	0.968	4	117.4358	1.352	15	116.1855	2.358	42	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:2:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])2	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a]C[5a]C[6a])2{1|C<3>,1|N<3>,2|H<1>,3|N<2>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a]){2|H<1>,3|C<3>}	117.9940	0.000	1	117.9940	0.000	1	117.4358	1.352	15	116.1855	2.358	42	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:2:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a](C[5a]N[5a]2)(C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]N[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,2|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,3|N<2>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a]){1|Cu<4>,1|H<1>,1|N<2>,2|C<3>}	117.7360	0.000	1	118.0738	0.232	4	117.4358	1.352	15	116.1855	2.358	42	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:2:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a](C[5a]N[5a]2)(C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]N[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,2|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,3|N<2>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a]){1|N<2>,2|C<3>,2|H<1>}	118.6720	0.000	1	118.0738	0.232	4	117.4358	1.352	15	116.1855	2.358	42	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:2:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a](C[5a]N[5a]2)(C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]N[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,2|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,3|N<2>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a]){1|Ru<6>,1|H<1>,1|N<2>,2|C<3>}	117.9435	0.436	2	118.0738	0.232	4	117.4358	1.352	15	116.1855	2.358	42	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:2:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a](C[5a]N[5a]2)(C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])2	C[6a](C[5a]N[5a]2)(C[6a]N[6a]H)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,3|N<2>}	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	118.8820	0.000	1	118.8820	0.000	1	117.4358	1.352	15	116.1855	2.358	42	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:2:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a])(O[5a]C[5a,6a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a])(O[5a]C[5a,6a]){1|H<1>,4|C<3>}	116.5330	0.000	1	116.5330	0.000	1	115.7033	2.606	12	116.1855	2.358	42	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:2:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])(O[5a]C[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	114.6670	0.000	1	115.5785	1.662	2	115.7033	2.606	12	116.1855	2.358	42	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:2:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])(O[5a]C[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,1|S<2>,2|C<3>}	116.4900	0.000	1	115.5785	1.662	2	115.7033	2.606	12	116.1855	2.358	42	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:2:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])2	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a])(O[5a]C[5a,6a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,4|C<3>}	N[6a](C[6a]C[5a]C[6a])2{1|C<3>,2|H<1>,2|N<2>,2|O<2>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a])(O[5a]C[5a,6a]){1|H<1>,4|C<3>}	113.9100	1.170	4	113.9100	1.369	4	115.7033	2.606	12	116.1855	2.358	42	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:2:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[6a](C[5a]N[5a]O[5a])(C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])(O[5a]C[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]N[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|N<2>}	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	117.2145	0.531	2	117.0218	0.157	5	115.7033	2.606	12	116.1855	2.358	42	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:2:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[6a](C[5a]N[5a]O[5a])(C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])(O[5a]C[5a])	C[6a](C[5a]N[5a]O[5a])(C[6a]N[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,2|N<2>}	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	116.8933	0.332	3	117.0218	0.157	5	115.7033	2.606	12	116.1855	2.358	42	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:2:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a])(S[5a]C[5a,6a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,4|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a])(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	115.7340	0.000	1	115.7340	0.000	1	115.3209	0.832	15	116.1855	2.358	42	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:2:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C[6])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a])(S[5a]C[5a,6a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,4|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C[6]){1|C<3>,1|N<3>,1|S<2>,2|H<1>,2|N<2>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a])(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	114.2170	0.000	1	114.2170	0.000	1	115.3209	0.832	15	116.1855	2.358	42	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:2:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,5a])(S[5a]C[5a,5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,5a])(S[5a]C[5a,5a]){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	114.5670	0.000	1	114.5670	0.000	1	115.3209	0.832	15	116.1855	2.358	42	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:2:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6])(S[5a]C[5a,6])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6])(S[5a]C[5a,6]){1|H<1>,1|N<3>,3|C<3>}	115.2390	0.000	1	115.2390	0.000	1	115.3209	0.832	15	116.1855	2.358	42	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:2:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a])(S[5a]C[5a,6a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a])(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	115.0265	1.114	2	115.0265	1.240	2	115.3209	0.832	15	116.1855	2.358	42	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:2:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(S[5a]C[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	115.6945	0.474	2	115.4812	0.231	5	115.3209	0.832	15	116.1855	2.358	42	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:2:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(S[5a]C[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(S[5a]C[5a]){1|H<1>,1|O<2>,3|C<3>}	115.3390	0.523	3	115.4812	0.231	5	115.3209	0.832	15	116.1855	2.358	42	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:2:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(S[5a]N[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(S[5a]N[5a]){1|H<1>,3|C<3>}	115.0280	0.601	2	115.0280	0.361	2	115.3209	0.832	15	116.1855	2.358	42	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:2:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])(S[5a]C[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])(S[5a]C[5a]){1|H<1>,3|C<3>}	114.7090	0.000	1	114.7090	0.000	1	115.3209	0.832	15	116.1855	2.358	42	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:2:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[6a](C[5a]N[5a]S[5a])(C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(S[5a]C[5a])	C[6a](C[5a]N[5a]S[5a])(C[6a]N[6a]H)(N[6a]C[6a]){1|H<1>,3|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|S<2>,2|H<1>,2|N<2>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(S[5a]C[5a]){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	117.8320	0.000	1	117.8320	0.000	1	115.3209	0.832	15	116.1855	2.358	42	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5,6a]-3:C[5a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:O[5a]-2:	C[6a](C[5,6a]C[5,6a]N[5])(C[5a]C[5a]O[5a])(N[6a]C[6a])	N[6a](C[6a]C[5,6a]C[5a])(C[6a]N[6a]H)	C[5a](C[6a]C[5,6a]N[6a])(C[5a]C[5a]Pt)(O[5a]C[5a])	C[6a](C[5,6a]C[5,6a]N[5])(C[5a]C[5a]O[5a])(N[6a]C[6a]){1|Pt<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	N[6a](C[6a]C[5,6a]C[5a])(C[6a]N[6a]H){1|N<3>,1|O<2>,2|C<3>}	C[5a](C[6a]C[5,6a]N[6a])(C[5a]C[5a]Pt)(O[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	123.6870	0.000	1	123.6870	0.000	1	123.6870	0.000	1	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[5a]C[5a]S[5a])(N[6a]C[5a,6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]C[5a])	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[5a]C[5a]S[5a])(N[6a]C[5a,6a]){2|H<1>,6|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]C[5a]){1|S<2>,2|N<3>,4|C<3>}	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	115.0730	0.000	1	115.3545	0.158	2	115.3545	0.158	2	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[5a]C[5a]S[5a])(N[6a]C[5a,6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]C[5a])	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[5a]C[5a]S[5a])(N[6a]C[5a,6a]){2|H<1>,6|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]C[5a]){1|S<2>,2|N<3>,4|C<3>}	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	115.6360	0.000	1	115.3545	0.158	2	115.3545	0.158	2	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]O[5a])(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]N[6a]N)	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]H)(O[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]O[5a])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|O<2>,4|C<3>}	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]N[6a]N){1|O<2>,3|C<3>}	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]H)(O[5a]C[5a,6a]){5|C<3>}	113.1120	0.000	1	113.1120	0.000	1	117.3437	5.092	6	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]O[5a])(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]N[6a]H)	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]O[5a])(N[6a]C[6a]){1|N<3>,2|C<3>,2|N<2>,3|H<1>}	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]N[6a]H){1|O<2>,3|C<3>}	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a]){2|H<1>,3|C<3>}	116.5190	0.000	1	116.5190	0.000	1	117.3437	5.092	6	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]O[5a])(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]N[6a]Cl)	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]H)(O[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]O[5a])(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]N[6a]Cl){1|N<2>,1|O<2>,2|C<3>}	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]H)(O[5a]C[5a,6a]){1|N<2>,4|C<3>}	118.0710	0.000	1	118.0710	0.000	1	117.3437	5.092	6	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]O[5a])(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]N[6a]Cl)	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]O[5a])(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]N[6a]Cl){1|N<2>,1|O<2>,2|C<3>}	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	118.6620	0.068	2	118.6620	0.005	2	117.3437	5.092	6	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]O[5a])(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]N[6a]H)	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]O[5a])(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]N[6a]H){1|N<2>,1|O<2>,2|C<3>}	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	119.0360	0.000	1	119.0360	0.000	1	117.3437	5.092	6	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]S[5a])(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]C[5a]C[6a])	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]S[5a])(N[6a]C[6a]){1|H<1>,1|N<3>,6|C<3>}	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]C[5a]C[6a]){2|S<2>,5|C<3>}	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	114.8380	0.000	1	114.8380	0.000	1	117.2585	2.607	4	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]C[6a]H)	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(N[6a]C[6a]){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]C[6a]H){1|Br<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	118.0020	0.000	1	118.0020	0.000	1	117.2585	2.607	4	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]N[6a]H)	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]N[6a]H){1|N<2>,1|S<2>,2|C<3>}	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	118.0970	0.055	2	118.0970	0.003	2	117.2585	2.607	4	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]N[5a]2)(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]C[6a]H)	C[5a](C[6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]N[5a]2)(N[6a]C[6a]){3|H<1>,5|C<3>}	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5a](C[6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|N<3>,4|C<3>}	117.8740	0.054	2	117.8740	0.003	2	117.8740	0.003	2	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:	C[6a]-3:C[5a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]O[5a])(N[6a]N[6a])	N[6a](C[6a]C[5a,6a]C[5a])(N[6a]C[6a]H)	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]O[5a])(N[6a]N[6a]){3|H<1>,5|C<3>}	N[6a](C[6a]C[5a,6a]C[5a])(N[6a]C[6a]H){1|O<2>,4|C<3>}	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	115.5880	1.393	2	115.5880	1.940	2	115.5880	1.940	2	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:O[5a]-2:	C[6a](C[5a]C[5a]O[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[5a]C[6a])	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|O<2>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[5a]C[6a]){1|N<2>,1|O<2>,5|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	114.8150	0.000	1	114.8150	0.000	1	114.8150	0.000	1	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[5a]C[6a])	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|S<2>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[5a]C[6a]){1|N<2>,1|S<2>,5|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	114.1920	0.918	2	114.1920	0.842	2	114.9663	0.504	22	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|S<2>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	114.7553	0.685	4	115.0313	0.488	18	114.9663	0.504	22	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|S<2>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	114.6677	0.769	6	115.0313	0.488	18	114.9663	0.504	22	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|S<2>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	115.6852	0.314	5	115.0313	0.488	18	114.9663	0.504	22	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|S<2>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){1|H<1>,1|S<2>,2|N<2>,3|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	115.2505	0.169	2	115.0313	0.488	18	114.9663	0.504	22	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|S<2>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){1|N<2>,1|N<3>,1|S<2>,4|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	114.6090	0.000	1	115.0313	0.488	18	114.9663	0.504	22	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5a]C[6a])	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5a]C[6a]){1|N<2>,1|S<2>,4|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	115.1555	0.308	2	115.1555	0.095	2	114.9663	0.504	22	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:S[5a]-2:	C[6a](C[5a]C[5a,6]S[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]N[6a])(S[5a]C[5a])	C[6a](C[5a]C[5a,6]S[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]N[6a])(S[5a]C[5a]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	115.9742	0.645	10	115.9742	0.415	10	115.6654	0.453	16	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:S[5a]-2:	C[6a](C[5a]C[5a,6]S[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])2	C[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]N[6a])(S[5a]C[5a])	C[6a](C[5a]C[5a,6]S[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<2>,4|C<3>}	N[6a](C[6a]C[5a]C[6a])2{2|H<1>,2|S<2>,3|C<3>}	C[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]N[6a])(S[5a]C[5a]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	115.0010	0.171	2	115.1508	0.103	6	115.6654	0.453	16	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:S[5a]-2:	C[6a](C[5a]C[5a,6]S[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])2	C[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]N[6a])(S[5a]C[5a])	C[6a](C[5a]C[5a,6]S[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<2>,4|C<3>}	N[6a](C[6a]C[5a]C[6a])2{2|H<1>,2|S<2>,3|C<3>}	C[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]N[6a])(S[5a]C[5a]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	115.2258	0.374	4	115.1508	0.103	6	115.6654	0.453	16	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]I)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|I<1>,1|N<2>,1|N<3>,2|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]I){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a]){2|H<1>,4|C<3>}	115.9690	0.000	1	115.9690	0.000	1	115.9340	0.832	3	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]P)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|P<3>,2|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]P){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a]){2|H<1>,4|C<3>}	115.0050	0.000	1	115.0050	0.000	1	115.9340	0.832	3	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])2	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a])	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	N[6a](C[6a]C[5a]C[6a])2{2|H<1>,2|N<2>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a]){2|H<1>,4|C<3>}	116.8280	0.000	1	116.8280	0.000	1	115.9340	0.832	3	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)	C[5a](C[5a]C[5,5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5,5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5,5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5,5a]){1|H<1>,2|C<4>,4|C<3>}	115.4896	0.604	19	115.4896	0.365	19	115.8968	1.451	25	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]N[6a])(N[5a]S[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]N[6a])(N[5a]S[5a]){1|H<1>,1|N<2>,3|C<3>}	116.3500	0.051	2	116.3500	0.003	2	115.8968	1.451	25	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|N<2>,2|H<1>,4|C<3>}	119.0505	0.333	2	119.0505	0.111	2	115.8968	1.451	25	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a])(N[5a]O[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a])(N[5a]O[5a]){1|H<1>,1|N<2>,3|C<3>}	116.1580	2.135	2	116.1580	4.560	2	115.8968	1.451	25	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6,6,6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6,6,6a]H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6,6,6a]H)(N[6a]C[6a]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6,6,6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]){1|B<4>,2|C<3>,2|H<1>}	117.4680	0.380	2	117.4680	0.145	2	116.4184	1.490	91	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2){2|H<1>,2|N<2>,3|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]){1|B<4>,2|C<3>,2|H<1>}	117.3765	0.551	2	117.3765	0.303	2	116.4184	1.490	91	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	114.9750	0.000	1	114.9750	0.000	1	116.4184	1.490	91	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]2)(N[5a]O[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]2)(N[5a]O[5a]){1|O<2>,2|H<1>,3|C<3>}	116.5000	0.000	1	116.5000	0.000	1	116.4184	1.490	91	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]N[5a]){2|H<1>,3|C<3>}	116.0240	0.000	1	116.0240	0.000	1	116.4184	1.490	91	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	116.7761	1.870	26	116.6755	3.166	30	116.4184	1.490	91	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]){1|Ir<6>,1|C<4>,1|H<1>,2|C<3>}	116.4130	0.000	1	116.6755	3.166	30	116.4184	1.490	91	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]){2|H<1>,3|C<3>}	115.8913	1.049	3	116.6755	3.166	30	116.4184	1.490	91	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]I)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|I<1>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]I)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	116.7120	0.000	1	116.7120	0.000	1	116.4184	1.490	91	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]C[6])(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]C[6])(N[5a]C[5a]){1|Ir<6>,1|H<1>,1|N<3>,4|C<3>}	118.3510	0.000	1	118.3510	0.000	1	116.4184	1.490	91	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	116.0585	0.660	17	116.1393	0.542	32	116.4184	1.490	91	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]N[5a]){1|H<1>,3|C<3>}	116.2308	0.829	15	116.1393	0.542	32	116.4184	1.490	91	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(C[5a]S[5a]H)(N[5a]C[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|C<3>,3|H<1>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(C[5a]S[5a]H)(N[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	116.8143	0.225	3	116.8143	0.051	3	116.4184	1.490	91	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])2	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5a]C[6a])2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	115.3860	0.000	1	115.4868	0.198	5	116.4184	1.490	91	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])2	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5a]C[6a])2{2|H<1>,2|N<2>,3|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	115.4860	0.860	2	115.4868	0.198	5	116.4184	1.490	91	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])2	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5a]C[6a])2{2|H<1>,2|N<2>,3|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,2|C<3>,2|C<4>}	115.5380	0.197	2	115.4868	0.198	5	116.4184	1.490	91	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])2	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a]C[5a]C[6a])2{2|H<1>,2|N<2>,3|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	116.4727	0.720	10	116.4352	0.432	12	116.4184	1.490	91	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])2	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a]C[5a]C[6a])2{2|H<1>,2|N<2>,3|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]N[5a]){1|H<1>,3|C<3>}	116.2480	0.000	2	116.4352	0.432	12	116.4184	1.490	91	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:O[5a]-2:	C[6a](C[5a]C[5a]O[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N[6a])	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a]){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N[6a]){1|O<2>,2|N<2>,3|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	116.9990	0.000	1	116.9990	0.000	1	117.3640	0.602	3	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:O[5a]-2:	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)(O[5a]C[5a,6a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)(O[5a]C[5a,6a]){1|H<1>,1|N<2>,3|C<3>}	118.2550	0.000	1	118.2550	0.000	1	117.3640	0.602	3	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:O[5a]-2:	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]N)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]N){1|H<1>,1|O<2>,2|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a]){2|C<3>,3|H<1>}	116.8380	0.000	1	116.8380	0.000	1	117.3640	0.602	3	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a]){1|C<2>,1|H<1>,1|S<2>,4|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C){1|C<2>,1|N<2>,1|S<2>,2|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	114.2595	0.234	2	114.2595	0.055	2	115.9460	2.411	43	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]C)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	113.8813	1.451	3	113.8813	2.106	3	115.9460	2.411	43	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]S)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]C)(N[6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,1|S<2>,2|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]S){1|C<2>,1|H<1>,1|S<2>,2|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<2>,2|C<3>,2|H<1>}	113.3730	0.000	1	113.3730	0.000	1	115.9460	2.411	43	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]F)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]F)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|F<1>,1|H<1>,1|S<2>,2|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<2>,1|F<1>,1|H<1>,2|C<3>}	115.8620	0.000	1	115.8620	0.000	1	115.9460	2.411	43	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C){1|S<2>,2|C<3>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	116.1930	0.000	1	116.1930	0.000	1	115.9460	2.411	43	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	115.0600	0.000	1	116.6327	1.398	12	115.9460	2.411	43	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	116.7756	1.126	11	116.6327	1.398	12	115.9460	2.411	43	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]Pd)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Pd<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]Pd)(S[5a]C[5a]){2|C<3>,3|H<1>}	115.3580	0.000	1	115.3580	0.000	1	115.9460	2.411	43	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a,5a]H)(S[5a]C[5a,5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a,5a]H)(S[5a]C[5a,5a]){1|H<1>,1|N<2>,3|C<3>}	114.1175	0.008	2	114.1175	0.000	2	115.9460	2.411	43	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(C[5a]S[5a]H)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|C<3>,3|H<1>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(C[5a]S[5a]H)(S[5a]C[5a]){1|H<1>,1|O<1>,2|C<3>}	113.7680	0.000	1	113.7680	0.000	1	115.9460	2.411	43	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N)	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]C)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N){1|S<2>,2|C<3>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]C)(S[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	114.1580	0.503	2	114.1580	0.253	2	115.9460	2.411	43	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]H){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	116.8257	0.653	4	116.8257	0.426	4	115.9460	2.411	43	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]N)	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]C)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|N<2>}	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]N){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]C)(S[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	115.1863	0.743	4	115.1863	0.552	4	115.9460	2.411	43	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]N[5])	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]N[5]){1|C<4>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	116.4580	0.000	1	116.4580	0.000	1	115.9460	2.411	43	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])2	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,5|C<3>}	N[6a](C[6a]C[5a]C[6a])2{1|C<2>,1|H<1>,1|S<2>,4|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	116.0780	0.000	1	116.0780	0.000	1	115.9460	2.411	43	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[5a]C[5a]S[5a])(C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]N[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<2>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|N<2>,3|H<1>}	118.0360	0.000	2	118.0360	0.000	2	115.9460	2.411	43	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[5a]C[5a]S[5a])(C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]N[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	117.5547	0.476	4	117.6320	0.200	5	115.9460	2.411	43	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[5a]C[5a]S[5a])(C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[5a]C[5a]S[5a])(C[6a]N[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	117.9410	0.000	1	117.6320	0.200	5	115.9460	2.411	43	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6a])(N[5a]N[5a]){6|C<3>}	113.4120	0.453	2	113.4120	0.205	2	116.9436	3.509	138	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	116.4690	0.000	1	116.4690	0.000	1	116.9436	3.509	138	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	117.9416	0.872	5	117.9416	0.760	5	116.9436	3.509	138	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C[5])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C[5]){1|C<3>,1|N<3>,2|H<1>,3|N<2>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	114.0870	0.000	1	114.0870	0.000	1	116.9436	3.509	138	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C[6])	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,2|C<3>,2|N<2>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C[6]){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]N[5a]){1|H<1>,2|C<3>}	115.2725	0.217	4	115.2725	0.047	4	116.9436	3.509	138	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]B[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|B<3>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(N[5a]B[5a]C[6a])(N[5a]N[5a]){1|H<1>,6|C<3>}	117.1790	0.000	1	117.1790	0.000	1	116.9436	3.509	138	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]B[5a]H)(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|B<3>,1|C<3>,1|N<3>,3|H<1>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(N[5a]B[5a]H)(N[5a]N[5a]){1|H<1>,4|C<3>}	116.0046	0.880	5	116.0046	0.775	5	116.9436	3.509	138	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,1|N<3>,3|C<3>}	119.2600	0.000	1	118.7943	2.401	12	116.9436	3.509	138	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	118.7520	1.618	11	118.7943	2.401	12	116.9436	3.509	138	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	113.3350	2.728	2	113.3350	7.442	2	116.9436	3.509	138	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C)(N[5a]C[5a]){1|C<2>,1|H<1>,3|C<3>}	118.3490	1.327	2	118.2525	1.496	8	116.9436	3.509	138	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C)(N[5a]C[5a]){1|H<1>,4|C<3>}	118.5960	0.000	1	118.2525	1.496	8	116.9436	3.509	138	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C)(N[5a]C[5a]){2|C<3>,3|H<1>}	118.1452	1.459	5	118.2525	1.496	8	116.9436	3.509	138	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C)(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C)(N[5a]N[5a]){1|H<1>,3|C<3>}	118.9655	0.028	2	118.9655	0.001	2	116.9436	3.509	138	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6])(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6])(N[5a]N[5a]){1|H<1>,5|C<3>}	117.4855	0.042	2	117.4855	0.002	2	116.9436	3.509	138	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6a])(N[5a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	117.0880	1.037	2	117.5601	0.854	28	116.9436	3.509	138	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,1|N<2>,4|C<3>}	118.8050	0.000	1	117.5601	0.854	28	116.9436	3.509	138	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,1|S<2>,4|C<3>}	117.0270	0.000	1	117.5601	0.854	28	116.9436	3.509	138	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,5|C<3>}	117.5698	0.925	24	117.5601	0.854	28	116.9436	3.509	138	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]Cu)(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cu<6>,1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]Cu)(N[5a]N[5a]){1|H<1>,3|C<3>}	114.9890	0.000	1	114.9890	0.000	1	116.9436	3.509	138	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]H)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,4|C<3>}	117.3440	0.000	1	116.8697	0.127	7	116.9436	3.509	138	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]H)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	116.7907	0.315	6	116.8697	0.127	7	116.9436	3.509	138	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]N)(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]N)(N[5a]N[5a]){1|H<1>,3|C<3>}	117.2910	0.777	6	116.4072	2.483	12	116.9436	3.509	138	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]N)(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|H<1>,2|N<2>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]N)(N[5a]N[5a]){1|H<1>,3|C<3>}	115.5233	1.727	6	116.4072	2.483	12	116.9436	3.509	138	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]C)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]C)(N[5a]C[5a]){2|C<3>,2|H<1>}	117.8675	0.036	2	117.8675	0.001	2	116.9436	3.509	138	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,3|H<1>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	115.9433	1.031	3	115.9433	1.063	3	116.9436	3.509	138	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]In)(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|In<3>,1|C<3>,2|H<1>,2|N<2>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]In)(N[5a]N[5a]){1|H<1>,2|C<3>}	114.2300	0.000	1	114.2300	0.000	1	116.9436	3.509	138	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]Pt)(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Pt<4>,1|C<3>,2|H<1>,2|N<2>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]Pt)(N[5a]N[5a]){1|H<1>,2|C<3>}	117.2460	0.000	1	117.2460	0.000	1	116.9436	3.509	138	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	118.0490	0.000	1	118.0490	0.000	1	116.9436	3.509	138	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	119.4655	0.233	2	119.4655	0.054	2	116.9436	3.509	138	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])2	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	N[6a](C[6a]C[5a]C[6a])2{1|C<3>,2|H<1>,2|N<2>,2|N<3>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	114.0955	2.840	6	114.0955	8.064	6	116.9436	3.509	138	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])2	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[5a]C[6a])2{1|C<3>,2|H<1>,2|N<2>,2|N<3>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	114.9839	0.351	14	114.9839	0.123	14	116.9436	3.509	138	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])2	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5a]C[6a])2{1|C<3>,1|N<3>,2|H<1>,3|N<2>}	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	115.6040	0.000	1	115.6040	0.000	1	116.9436	3.509	138	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a](C[5a]N[5a]2)(C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]N[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,2|N<2>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,1|N<2>,4|C<3>}	118.5310	0.000	1	118.5310	0.000	1	116.9436	3.509	138	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a](C[5a]N[5a]2)(C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]H)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]N[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,2|N<2>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,3|H<1>}	117.8795	0.775	4	117.8795	0.601	4	116.9436	3.509	138	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a](C[5a]N[5a]2)(C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]N)(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]N[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,2|N<2>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]N)(N[5a]N[5a]){1|H<1>,1|N<2>,2|C<3>}	118.7946	1.003	8	118.7946	1.006	8	116.9436	3.509	138	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a](C[5a]N[5a]2)(C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]N[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,2|N<2>}	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	117.6910	0.000	1	117.6910	0.000	1	116.9436	3.509	138	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	N[5,5a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a]N[5,5a]N[5a])(C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](N[5,5a]C[5,5a]N[5])(C[6a]C[6a]N[6a])(N[5a]N[5a])	C[6a](C[5a]N[5,5a]N[5a])(C[6a]N[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,2|N<2>}	C[5a](N[5,5a]C[5,5a]N[5])(C[6a]C[6a]N[6a])(N[5a]N[5a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	117.8330	0.000	1	117.8330	0.000	1	117.8330	0.000	1	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	N[5a,5a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a]N[5a,5a]N[5a])(C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]N[6a])(N[5a]N[5a])	C[6a](C[5a]N[5a,5a]N[5a])(C[6a]N[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,2|N<2>}	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]N[6a])(N[5a]N[5a]){2|C<3>,2|H<1>,2|N<2>}	117.3540	0.000	1	117.3540	0.000	1	117.3540	0.000	1	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a])	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a]){2|H<1>,4|C<3>}	117.6470	0.000	1	117.6470	0.000	1	118.2464	0.774	14	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){3|H<1>,4|C<3>}	118.6330	0.000	1	118.6505	0.260	10	118.2464	0.774	14	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<2>,2|H<1>,4|C<3>}	118.9120	0.000	1	118.6505	0.260	10	118.2464	0.774	14	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	118.4513	0.760	4	118.6505	0.260	10	118.2464	0.774	14	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|S<2>,2|H<1>,4|C<3>}	118.7905	0.309	2	118.6505	0.260	10	118.2464	0.774	14	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){2|H<1>,5|C<3>}	118.4670	0.000	1	118.6505	0.260	10	118.2464	0.774	14	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){3|H<1>,4|C<3>}	119.1070	0.000	1	118.6505	0.260	10	118.2464	0.774	14	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a])	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a]){2|H<1>,4|C<3>}	117.7500	0.000	1	117.7500	0.000	1	118.2464	0.774	14	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]N[6a])(N[5a]N[5a])	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]N[6a])(N[5a]N[5a]){1|H<1>,5|C<3>}	116.7740	1.073	2	116.7740	1.152	2	118.2464	0.774	14	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](N[5a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a,6a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	118.5480	0.000	1	118.5480	0.000	1	117.5270	2.085	2	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])2	C[5a](N[5a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a,6a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,5|C<3>}	N[6a](C[6a]C[5a]C[6a])2{1|C<3>,2|H<1>,2|N<2>,2|N<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	116.5060	0.000	1	116.5060	0.000	1	117.5270	2.085	2	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[5a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5a]C[5a]S[5a])(N[6a]C[6,6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[5a])	C[5a](C[6a]C[6,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5a]C[5a]S[5a])(N[6a]C[6,6a]){1|H<1>,2|C<4>,5|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[5a]){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[5a](C[6a]C[6,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	112.9910	0.000	1	112.9910	0.000	1	112.9910	0.000	1	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[5a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:O[5a]-2:	C[6a](C[6,6a]C[6,6a]C[6])(C[5a]C[5a]O[5a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C[5a])	C[5a](C[6a]C[6,6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a])	C[6a](C[6,6a]C[6,6a]C[6])(C[5a]C[5a]O[5a])(N[6a]C[6a,6a]){2|C<4>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C[5a]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5a](C[6a]C[6,6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	114.0460	0.000	1	114.0460	0.000	1	114.0460	0.000	1	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[5a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[6,6a]C[6,6a]C[6])(C[5a]C[5a]S[5a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C[5a])	C[5a](C[6a]C[6,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[6,6a]C[6,6a]C[6])(C[5a]C[5a]S[5a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C[5a]){1|H<1>,1|S<2>,5|C<3>}	C[5a](C[6a]C[6,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	113.9420	0.000	1	113.9420	0.000	1	113.9420	0.000	1	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]S[5a])(N[6a]C[5a,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C[5a])	C[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]S[5a])(N[6a]C[5a,6a]){1|N<3>,2|H<1>,5|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C[5a]){1|N<2>,1|S<2>,5|C<3>}	C[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	113.8240	0.000	1	113.8240	0.000	1	113.8240	0.000	1	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[5a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5a]C[5a]S[5a])(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[5a])2	C[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5a]C[5a]S[5a])(N[6a]C[6a]){2|H<1>,6|C<3>}	N[6a](C[6a]C[6a,6a]C[5a])2{2|S<2>,5|C<3>}	C[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	114.5140	0.335	2	114.5140	0.112	2	114.5140	0.112	2	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[5a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]C[5a]C[6a])	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[6a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(N[6a]C[6a]){1|H<1>,1|N<3>,6|C<3>}	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]C[5a]C[6a]){2|S<2>,5|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	111.9240	0.000	1	111.9240	0.000	1	111.9240	0.000	1	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[5a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a](C[6a]C[5a]N[6a])(C[5a]N[5a]2)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]Cu)(N[5a]N[5a])	C[6a](C[6a]C[5a]N[6a])(C[5a]N[5a]2)(N[6a]C[6a]){1|Cu<6>,1|C<3>,1|H<1>,1|N<3>,3|N<2>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]Cu)(N[5a]N[5a]){1|N<2>,2|C<3>}	114.1000	0.000	1	114.1000	0.000	1	113.0267	0.865	3	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[5a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a](C[6a]C[5a]N[6a])(C[5a]N[5a]2)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])2	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]N[5a])	C[6a](C[6a]C[5a]N[6a])(C[5a]N[5a]2)(N[6a]C[6a]){1|H<1>,1|N<3>,2|C<3>,3|N<2>}	N[6a](C[6a]C[5a]C[6a])2{2|C<3>,2|N<3>,3|N<2>}	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]N[5a]){1|N<2>,2|C<3>}	112.4900	0.040	2	112.4900	0.002	2	113.0267	0.865	3	116.4469	2.977	387	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a]){1|N<3>,2|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[5a]){1|H<1>,1|N<3>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|N<3>,2|H<1>,4|C<3>}	117.5800	0.000	1	117.5800	0.000	1	117.5800	0.000	1	115.2139	5.377	191	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-3:	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a]){1|N<3>,2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|H<1>,1|N<2>,3|C<3>}	114.1264	0.457	5	114.9303	1.491	8	114.1849	3.073	12	115.2139	5.377	191	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-3:	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a]){1|N<3>,2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|N<2>,2|C<3>,2|H<1>}	116.6085	0.547	2	114.9303	1.491	8	114.1849	3.073	12	115.2139	5.377	191	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-3:	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a]){1|N<3>,2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){1|H<1>,1|N<3>,2|N<2>,3|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|N<2>,2|C<3>,2|H<1>}	115.5930	0.000	1	114.9303	1.491	8	114.1849	3.073	12	115.2139	5.377	191	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-3:	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5a]C[6a])	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a]){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5a]C[6a]){1|N<2>,1|N<3>,4|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|N<2>,2|C<3>,2|H<1>}	115.4360	0.000	1	115.4360	0.000	1	114.1849	3.073	12	115.2139	5.377	191	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-3:	C[6a](C[5a]C[5a]N[5a])(C[6a]N[6a]C[5])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]N[6a]C[5])(N[6a]C[6a,6a]){1|N<2>,2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|H<1>,1|N<2>,3|C<3>}	111.7803	0.084	3	111.7803	0.007	3	114.1849	3.073	12	115.2139	5.377	191	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:C[5a]-3:	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]Au)(C[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a]){1|Au<4>,1|H<1>,1|N<3>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]Au)(C[5a]C[5a]H){1|H<1>,1|N<2>,3|C<3>}	109.2265	1.279	8	109.2265	1.635	8	110.8431	2.297	22	115.2139	5.377	191	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:C[5a]-3:	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]Cu)(C[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a]){1|Cu<4>,1|H<1>,1|N<3>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]Cu)(C[5a]C[5a]H){1|H<1>,1|N<2>,3|C<3>}	112.1838	0.166	4	112.1838	0.028	4	110.8431	2.297	22	115.2139	5.377	191	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:C[5a]-3:	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]Ni)(C[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a]){1|Ni<4>,1|H<1>,1|N<3>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]Ni)(C[5a]C[5a]H){1|H<1>,1|N<2>,3|C<3>}	111.6002	0.567	10	111.6002	0.321	10	110.8431	2.297	22	115.2139	5.377	191	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5,5a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a]C[5,5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]N[6a])(N[5a]C[5a]H)	C[6a](C[5a]C[5,5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]N[6a])(N[5a]C[5a]H){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	117.1025	0.510	2	117.1025	0.260	2	117.1025	0.260	2	115.2139	5.377	191	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,5a]N[5a,5a,6]C[5a,6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a](C[5a,5a]N[5a,5a,6]C[5a,6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,8|C<3>}	115.5730	0.000	1	115.5730	0.000	1	115.5730	0.000	1	115.2139	5.377	191	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[6a]C[6a]N[6a])(C[5a]C[5a,5a]H)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[6a]C[6a]N[6a])(C[5a]C[5a,5a]H){2|H<1>,5|C<3>}	117.7440	0.000	1	117.7440	0.000	1	117.7440	0.000	1	115.2139	5.377	191	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a,6a]C[6a])(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|N<3>,2|H<1>,6|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a,6a]H){5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H){1|C<4>,1|H<1>,5|C<3>}	112.3830	0.000	1	112.3830	0.000	1	115.4689	2.460	15	115.2139	5.377	191	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(N[6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2){1|C<2>,1|H<1>,1|N<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H){1|C<2>,2|H<1>,4|C<3>}	114.9554	0.995	5	114.8511	0.742	7	115.4689	2.460	15	115.2139	5.377	191	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(N[6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2){1|C<2>,1|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H){1|C<2>,2|H<1>,4|C<3>}	114.5905	0.555	2	114.8511	0.742	7	115.4689	2.460	15	115.2139	5.377	191	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]C)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]C){1|C<2>,2|H<1>,4|C<3>}	115.4850	0.000	1	115.4850	0.000	1	115.4689	2.460	15	115.2139	5.377	191	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H){1|C<2>,2|H<1>,4|C<3>}	116.1790	0.000	1	116.1790	0.000	1	115.4689	2.460	15	115.2139	5.377	191	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(N[6a]C[6a]){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O){2|C<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H){1|C<2>,2|H<1>,4|C<3>}	115.0950	0.000	1	115.0950	0.000	1	115.4689	2.460	15	115.2139	5.377	191	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(N[6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	N[6a](C[6a]C[5a]C[6a])2{1|C<2>,1|H<1>,1|S<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H){1|C<2>,2|H<1>,4|C<3>}	115.4370	0.000	1	115.4370	0.000	1	115.4689	2.460	15	115.2139	5.377	191	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]C)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]C){2|H<1>,4|C<3>}	117.3270	0.000	1	117.3270	0.000	1	115.4689	2.460	15	115.2139	5.377	191	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]N[6a]O)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]N[6a]O)(N[6a]C[6a]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H){1|H<1>,1|N<3>,1|O<1>,1|S<4>,3|C<3>}	118.0170	0.000	1	118.0845	0.009	2	115.4689	2.460	15	115.2139	5.377	191	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]N[6a]O)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]N[6a]O)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	118.1520	0.000	1	118.0845	0.009	2	115.4689	2.460	15	115.2139	5.377	191	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]B[5a]H)	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|B<4>,1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]B[5a]H){2|C<4>,2|H<1>,4|C<3>}	116.1665	0.285	2	116.1665	0.081	2	116.1665	0.081	2	115.2139	5.377	191	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]N)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|N<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]N){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H){3|H<1>,4|C<3>}	115.4010	0.000	1	115.4010	0.000	1	115.4010	0.000	1	115.2139	5.377	191	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C[5])	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C[5]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]H){1|C<4>,2|H<1>,4|C<3>}	116.0330	0.000	1	116.0330	0.000	1	115.2845	1.661	6	115.2139	5.377	191	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[6a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[6a]N[5a]){1|C<4>,1|H<1>,6|C<3>}	117.1550	0.000	1	117.1550	0.000	1	115.2845	1.661	6	115.2139	5.377	191	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a])(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,3|C<3>,3|H<1>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a])(N[5a]C[5a]H){1|H<1>,1|N<2>,4|C<3>}	115.0485	1.350	2	115.0485	1.822	2	115.2845	1.661	6	115.2139	5.377	191	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])2	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[5a]C[6a])2{2|H<1>,2|N<3>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]H){2|H<1>,5|C<3>}	114.2110	0.085	2	114.2110	0.007	2	115.2845	1.661	6	115.2139	5.377	191	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(C[5a]N[5a]S)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|S<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(C[5a]N[5a]S){2|H<1>,3|C<3>}	116.4290	0.000	1	116.4290	0.000	1	116.8012	0.351	8	115.2139	5.377	191	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(C[5a]S[5a]N)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|S<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(C[5a]S[5a]N){1|H<1>,3|C<3>}	115.9830	0.000	1	115.9830	0.000	1	116.8012	0.351	8	115.2139	5.377	191	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(C[5a]N[5a]C)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(C[5a]N[5a]C){1|Ni<4>,1|H<1>,3|C<3>}	116.5590	0.180	2	116.5590	0.032	2	116.8012	0.351	8	115.2139	5.377	191	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]S)	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(C[5a]N[5a]N)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|H<1>,2|N<2>,2|N<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]S){1|H<1>,3|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(C[5a]N[5a]N){1|C<4>,1|H<1>,2|C<3>}	117.2200	0.516	4	117.2200	0.266	4	116.8012	0.351	8	115.2139	5.377	191	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-3:	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a]){1|C<2>,1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C){1|C<2>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|N<2>,2|C<3>,2|H<1>}	114.0690	0.380	4	114.0690	0.144	4	115.9750	2.143	96	115.2139	5.377	191	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-3:	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6,6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6,6a]H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6,6a]H)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6,6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){1|H<1>,4|C<3>}	115.9035	0.090	2	115.9035	0.008	2	115.9750	2.143	96	115.2139	5.377	191	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-3:	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	119.3640	0.024	2	119.3640	0.001	2	115.9750	2.143	96	115.2139	5.377	191	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-3:	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	116.4755	0.165	2	116.4755	0.027	2	115.9750	2.143	96	115.2139	5.377	191	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-3:	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,3|C<3>,3|H<1>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]H){1|H<1>,3|C<3>}	115.4680	0.000	1	115.4680	0.000	1	115.9750	2.143	96	115.2139	5.377	191	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-3:	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C[5])	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C[5]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	116.7575	0.992	6	116.5421	1.145	7	115.9750	2.143	96	115.2139	5.377	191	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-3:	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C[5])	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C[5]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|H<1>,2|C<3>,2|C<4>}	115.2500	0.000	1	116.5421	1.145	7	115.9750	2.143	96	115.2139	5.377	191	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-3:	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){1|H<1>,4|C<3>}	119.1075	0.062	2	119.1075	0.004	2	115.9750	2.143	96	115.2139	5.377	191	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-3:	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,4|H<1>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){1|H<1>,1|N<2>,3|C<3>}	115.9080	0.000	1	115.9080	0.000	1	115.9750	2.143	96	115.2139	5.377	191	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-3:	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	116.1825	0.896	6	116.1825	0.803	6	115.9750	2.143	96	115.2139	5.377	191	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-3:	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]N[5a]H){1|H<1>,3|C<3>}	117.0950	0.000	1	117.0950	0.000	1	115.9750	2.143	96	115.2139	5.377	191	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-3:	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,4|H<1>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	117.2750	0.000	1	116.3478	0.257	6	115.9750	2.143	96	115.2139	5.377	191	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-3:	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,4|H<1>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	116.1624	0.252	5	116.3478	0.257	6	115.9750	2.143	96	115.2139	5.377	191	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-3:	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,4|H<1>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	117.2880	0.000	1	117.1179	1.289	8	115.9750	2.143	96	115.2139	5.377	191	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-3:	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,4|H<1>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]H){1|H<1>,3|C<3>}	117.0936	1.224	7	117.1179	1.289	8	115.9750	2.143	96	115.2139	5.377	191	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-3:	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]S)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,3|C<3>,3|H<1>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]S)(N[5a]C[5a]H){1|H<1>,1|S<2>,3|C<3>}	113.4950	0.354	4	113.4950	0.126	4	115.9750	2.143	96	115.2139	5.377	191	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-3:	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]Se)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Se<2>,1|N<2>,2|C<3>,3|H<1>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]Se)(N[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	116.5780	0.000	1	116.5780	0.000	1	115.9750	2.143	96	115.2139	5.377	191	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-3:	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]C[6])(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,3|C<3>,3|H<1>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]C[6])(N[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	116.5990	0.000	1	116.5990	0.000	1	115.9750	2.143	96	115.2139	5.377	191	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-3:	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N)	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|N<2>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]N[5a]C){1|H<1>,2|C<3>}	117.5552	1.532	6	117.5552	2.347	6	115.9750	2.143	96	115.2139	5.377	191	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-3:	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]Br)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]Br){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	115.3900	1.303	6	115.6827	1.519	8	115.9750	2.143	96	115.2139	5.377	191	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-3:	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]Br)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]Br){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	116.5610	0.290	2	115.6827	1.519	8	115.9750	2.143	96	115.2139	5.377	191	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-3:	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,3|C<3>,3|H<1>}	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]H){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	117.1785	0.655	2	117.1785	0.430	2	115.9750	2.143	96	115.2139	5.377	191	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-3:	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])2	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a]C[5a]C[6a])2{2|H<1>,2|N<3>,3|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	114.9592	0.662	17	115.1301	0.961	20	115.9750	2.143	96	115.2139	5.377	191	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-3:	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])2	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a]C[5a]C[6a])2{2|H<1>,2|N<3>,3|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	116.2595	2.790	2	115.1301	0.961	20	115.9750	2.143	96	115.2139	5.377	191	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-3:	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])2	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a]C[5a]C[6a])2{2|H<1>,2|N<3>,3|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|H<1>,2|C<3>,2|C<4>}	115.7770	0.000	1	115.1301	0.961	20	115.9750	2.143	96	115.2139	5.377	191	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-3:	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])2	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a]C[5a]C[6a])2{2|H<1>,2|N<3>,3|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	115.5433	0.161	4	115.5433	0.026	4	115.9750	2.143	96	115.2139	5.377	191	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-3:	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])2	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,3|C<3>,3|H<1>}	N[6a](C[6a]C[5a]C[6a])2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	114.3390	0.000	1	115.2684	0.646	8	115.9750	2.143	96	115.2139	5.377	191	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-3:	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])2	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,3|C<3>,3|H<1>}	N[6a](C[6a]C[5a]C[6a])2{2|H<1>,2|N<3>,3|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	116.0550	0.000	1	115.2684	0.646	8	115.9750	2.143	96	115.2139	5.377	191	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-3:	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])2	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,3|C<3>,3|H<1>}	N[6a](C[6a]C[5a]C[6a])2{2|H<1>,2|N<3>,3|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]H){1|H<1>,3|C<3>}	115.2922	0.779	6	115.2684	0.646	8	115.9750	2.143	96	115.2139	5.377	191	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a,6]-3:C[5a]-3:	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a,6]C[5a,6]2)(C[5a]N[5a]H)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,3|C<3>,3|H<1>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(N[5a,6]C[5a,6]2)(C[5a]N[5a]H){1|H<1>,1|N<2>,2|C<3>,2|N<3>}	112.5040	1.401	4	112.5040	1.963	4	112.5040	1.963	4	115.2139	5.377	191	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:C[5a]-3:	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]Al)(C[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Al<4>,2|H<1>,4|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]Al)(C[5a]C[5a]H){2|H<1>,3|C<3>}	115.8940	0.000	1	115.8940	0.000	1	114.5276	3.910	7	115.2139	5.377	191	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:C[5a]-3:	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]Pt)(C[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Pt<4>,1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]Pt)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	115.7110	0.000	1	115.7110	0.000	1	114.5276	3.910	7	115.2139	5.377	191	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:C[5a]-3:	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[6a]N[5a])(C[5a]O[5a]O)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[6a]N[5a])(C[5a]O[5a]O){1|H<1>,4|C<3>}	117.0780	0.000	1	117.0780	0.000	1	114.5276	3.910	7	115.2139	5.377	191	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:C[5a]-3:	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]P)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]Ga)(C[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Ga<3>,1|P<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]P){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]Ga)(C[5a]C[5a]H){2|H<1>,3|C<3>}	114.5620	0.297	2	113.2525	2.395	4	114.5276	3.910	7	115.2139	5.377	191	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:C[5a]-3:	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]P)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]Ga)(C[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Ga<3>,1|P<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]P){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]Ga)(C[5a]C[5a]H){2|H<1>,3|C<3>}	111.9430	0.486	2	113.2525	2.395	4	114.5276	3.910	7	115.2139	5.377	191	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a])	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,2|N<2>,3|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a]){1|H<1>,6|C<3>}	115.9130	2.097	2	115.9130	4.399	2	115.9130	4.399	2	115.2139	5.377	191	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C){1|O<2>,2|H<1>,4|C<3>}	113.0610	0.000	1	115.2855	9.897	2	117.6720	6.399	6	115.2139	5.377	191	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C){2|H<1>,5|C<3>}	117.5100	0.000	1	115.2855	9.897	2	117.6720	6.399	6	115.2139	5.377	191	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){1|N<3>,2|H<1>,4|C<3>}	118.8653	1.292	4	118.8653	1.670	4	117.6720	6.399	6	115.2139	5.377	191	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](N[5a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H){1|H<1>,6|C<3>}	117.5125	3.243	2	117.5125	10.520	2	117.5125	10.520	2	115.2139	5.377	191	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[5a]C[6a])(N[6a]C[6a]C)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]C)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]N[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|C<4>}	N[6a](C[6a]C[5a]C[6a])(N[6a]C[6a]C){1|H<1>,1|O<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]C){1|N<3>,2|H<1>,3|C<3>}	115.8580	0.000	1	115.8580	0.000	1	115.8580	0.000	1	115.2139	5.377	191	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[5a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[5a]N[5a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a]){1|N<3>,2|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[5a]){1|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[5a]N[5a]H){2|H<1>,5|C<3>}	115.2990	0.000	1	115.2990	0.000	1	115.2990	0.000	1	115.2139	5.377	191	116.0446	4.203	726	116.3748	4.918	809
643	371	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[5a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[5a])(C[6a]N[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[5a]O[5a]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6a]C[6a]){1|N<3>,1|O<2>,2|H<1>,2|N<2>,3|C<3>}	N[6a](C[6a]C[6a,6a]C[5a])(C[6a]N[6a]H){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[5a]O[5a]N){1|H<1>,5|C<3>}	116.7520	0.000	1	116.7520	0.000	1	116.7520	0.000	1	115.2139	5.377	191	116.0446	4.203	726	116.3748	4.918	809
643	371	727	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[5,6,6a]	3:2:3:	3:3:	3:3:3:	C[5,6,6a]-3:N[6a]-2:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[6a]C[6a,6a])(C[6]C[6]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6,6a]C[6])	C[5,6,6a](C[5,6a]C[6a,6a]C[5])(C[6,6a]N[6a]C[6])(C[5,6]C[6]N[5])	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[6a]C[6a,6a])(C[6]C[6]O){1|N<3>,2|C<4>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6,6a]C[6]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6,6a](C[5,6a]C[6a,6a]C[5])(C[6,6a]N[6a]C[6])(C[5,6]C[6]N[5]){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	121.2107	0.185	3	121.2107	0.034	3	121.2107	0.034	3	121.2107	0.034	3	120.7322	0.170	9	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[5,6,6a]	3:2:4:	3:3:	3:3:3:	C[5,6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[6a]C[6a,6a])(C[6]C[6]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6,6a]C[6])	C[5,6,6a](C[5,6a]C[6a,6a]C[5])(C[6,6a]N[6a]C[6])(C[5,6]C[6]N[5])	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|N<3>,2|C<4>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6,6a]C[6]){1|C<4>,3|H<1>,4|C<3>}	C[5,6,6a](C[5,6a]C[6a,6a]C[5])(C[6,6a]N[6a]C[6])(C[5,6]C[6]N[5]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	120.4930	0.230	6	120.4930	0.053	6	120.4930	0.053	6	120.4930	0.053	6	120.7322	0.170	9	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[5a,6,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6,6a]-3:N[6a]-2:S[6]-2:	C[6,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(S[6]C[6])	N[6a](C[6,6a]C[5a,6,6a]S[6])(C[6a]N[6a]N)	C[5a,6,6a](C[5a,6a]N[5a]N[6a])(C[5a,6]C[5a]C[6])(C[6,6a]N[6a]S[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(S[6]C[6]){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|N<3>}	N[6a](C[6,6a]C[5a,6,6a]S[6])(C[6a]N[6a]N){1|C<4>,2|C<3>}	C[5a,6,6a](C[5a,6a]N[5a]N[6a])(C[5a,6]C[5a]C[6])(C[6,6a]N[6a]S[6]){1|C<3>,1|C<4>,4|H<1>}	121.1840	0.000	1	121.1840	0.000	1	121.1840	0.000	1	121.1840	0.000	1	121.3340	0.924	4	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[5a,6,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6,6a]-3:N[6a]-2:C[6]-4:	C[5a,6a]-3:C[6,6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(N[6a]C[5a,6a])(C[6]C[6]HH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[5a,6,6a]C[6])	C[5a,6,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6]N[5a]C[6])(C[6,6a]N[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(N[6a]C[5a,6a])(C[6]C[6]HH){2|C<3>,2|N<3>,3|C<4>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[5a,6,6a]C[6]){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[5a,6,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6]N[5a]C[6])(C[6,6a]N[6a]C[6]){1|C<4>,4|C<3>,4|H<1>}	122.6840	0.000	1	122.6840	0.000	1	122.6840	0.000	1	122.6840	0.000	1	121.3340	0.924	4	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[5a,6,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(N[6a]C[6a])	N[6a](C[6,6a]C[5a,6,6a]C[6,6a])(C[6a]C[6a]H)	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(N[5a,6]C[5a,6a]S[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(N[6a]C[6a]){1|N<2>,1|S<4>,2|H<1>,4|C<3>}	N[6a](C[6,6a]C[5a,6,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(N[5a,6]C[5a,6a]S[6]){1|H<1>,2|O<1>,5|C<3>}	120.4130	0.000	1	120.4130	0.000	1	120.4130	0.000	1	120.7340	0.206	2	121.3340	0.924	4	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[5a,6,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6,6a]-3:N[5,6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(N[5,6]C[5,6]C[5])(N[6a]C[6a])	N[6a](C[6,6a]C[5a,6,6a]N[5,6])(C[6a]N[6a]H)	C[5a,6,6a](C[5a,6a]N[5a]N[6a])(C[6,6a]N[5,6]N[6a])(N[5a,6]C[5a]B[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(N[5,6]C[5,6]C[5])(N[6a]C[6a]){1|B<4>,1|N<3>,2|C<3>,2|H<1>,2|N<2>}	N[6a](C[6,6a]C[5a,6,6a]N[5,6])(C[6a]N[6a]H){1|N<3>,3|C<3>}	C[5a,6,6a](C[5a,6a]N[5a]N[6a])(C[6,6a]N[5,6]N[6a])(N[5a,6]C[5a]B[6]){1|H<1>,2|C<4>,3|C<3>}	121.0550	0.000	1	121.0550	0.000	1	121.0550	0.000	1	120.7340	0.206	2	121.3340	0.924	4	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[5,6a,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[6a,6a](C[5,6a,6a]C[5,6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])	C[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[5,6a]C[6a]N[5])	C[6a,6a](C[5,6a,6a]C[5,6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]C){1|C<4>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[5,6a]C[6a]N[5]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	118.0580	0.000	1	118.0580	0.000	1	119.1030	0.498	4	119.1030	0.498	4	119.2785	0.611	6	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[5,6a,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[6a,6a](C[5,6a,6a]C[5,6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])	C[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[5,6a]C[6a]N[5])	C[6a,6a](C[5,6a,6a]C[5,6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a]){2|H<1>,5|C<3>}	C[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[5,6a]C[6a]N[5]){1|O<1>,2|H<1>,4|C<3>}	119.4513	0.136	3	119.4513	0.018	3	119.1030	0.498	4	119.1030	0.498	4	119.2785	0.611	6	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[5,6a,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]2)	C[5,6a,6a](C[6a,6a]C[6a]N[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[5,6a,6a](C[6a,6a]C[6a]N[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	118.8580	0.000	1	118.8580	0.000	1	119.6295	1.190	2	119.6295	1.190	2	119.2785	0.611	6	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[5,6a,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]C)	C[5,6a,6a](C[6a,6a]C[6a]N[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|Cl<1>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[5,6a,6a](C[6a,6a]C[6a]N[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5]){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|N<3>}	120.4010	0.000	1	120.4010	0.000	1	119.6295	1.190	2	119.6295	1.190	2	119.2785	0.611	6	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[5a,6a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a,6a]C[6a]N[6a])	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|H<1>,2|O<2>,3|C<3>}	N[6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a,6a]C[6a]N[6a]){1|O<2>,2|H<1>,3|C<3>}	118.7860	0.000	1	118.7860	0.000	1	118.7860	0.000	1	119.4940	0.376	3	119.4940	0.376	3	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[5a,6a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[5a,6a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]C)	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a]N[6a])	C[6a,6a](C[5a,6a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]O)(N[6a]C[6a]){1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a]N[6a]){1|H<1>,1|O<1>,5|C<3>}	119.8480	0.006	2	119.8480	0.000	2	119.8480	0.000	2	119.4940	0.376	3	119.4940	0.376	3	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6,6a]	3:2:1:	3:2:	3:4:3:	C[5,6,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(N[6a]N[6a])(H)	N[6a](C[6a]C[5,6,6a]H)(N[6a]C[6a])	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]N[6a]H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(N[6a]N[6a])(H){1|H<1>,2|C<3>,2|C<4>}	N[6a](C[6a]C[5,6,6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]N[6a]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	121.7265	0.142	2	121.7265	0.020	2	121.7265	0.020	2	121.7265	0.020	2	121.8070	1.130	5	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6,6a]	3:2:1:	3:3:	4:3:3:	C[5,6,6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[5,6,6a]Cl)(C[6a]C[6a]Cl)	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]N[6a]Cl)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(N[6a]C[6a])(Cl){1|Cl<1>,1|O<2>,2|C<3>,2|C<4>}	N[6a](C[6a]C[5,6,6a]Cl)(C[6a]C[6a]Cl){1|C<3>,1|C<4>,1|H<1>}	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]N[6a]Cl){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	123.2930	0.000	1	123.2930	0.000	1	123.2930	0.000	1	123.2930	0.000	1	121.8070	1.130	5	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6,6a]	3:2:3:	3:3:	3:4:3:	C[5,6,6a]-3:N[6a]-2:C-3:	C[6a,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(N[6a]C[6a,6a])(CNO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6,6a]C)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,5,6]C[5,5]H)(C[6a]N[6a]C)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(N[6a]C[6a,6a])(CNO){1|H<1>,2|C<3>,3|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6,6a]C){1|C<4>,1|H<1>,3|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,5,6]C[5,5]H)(C[6a]N[6a]C){2|C<3>,2|C<4>,4|H<1>}	121.9810	0.000	1	121.9810	0.000	1	121.9810	0.000	1	121.9810	0.000	1	121.8070	1.130	5	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6,6a]	3:3:2:	3:3:	3:4:3:	C[5,6,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5,6,6a]C[6a])(C[6a]N[6a]N)	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]N[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,3|C<4>,3|H<1>}	N[6a](C[6a]C[5,6,6a]C[6a])(C[6a]N[6a]N){1|C<4>,3|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]N[6a]){2|H<1>,3|C<3>,4|C<4>}	120.3080	0.000	1	120.3080	0.000	1	120.3080	0.000	1	120.3080	0.000	1	121.8070	1.130	5	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:1:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[5,6a]Cl)(C[6a]N[6a]H)	C[5,6a](C[5,6a]N[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]N[6a]Cl)	C[6a](C[5,6a]C[5,6a]N[5,5])(N[6a]C[6a])(Cl){1|H<1>,1|N<2>,1|N<3>,2|C<4>}	N[6a](C[6a]C[5,6a]Cl)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]N[6a]Cl){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	121.5307	0.513	4	121.5307	0.263	4	121.5307	0.263	4	121.4462	3.530	18	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:1:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[5a,6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]N[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[5a,6a])(H){1|O<1>,2|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5,6a]H){1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]N[6a]H)(C[5]N[5]O){1|O<1>,3|C<3>}	122.4620	0.000	1	122.4620	0.000	1	122.4620	0.000	1	121.4462	3.530	18	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:1:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(H){1|N<3>,1|O<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]H)(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>}	121.5930	0.000	1	121.5930	0.000	1	121.5930	0.000	1	121.4462	3.530	18	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:1:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5,6a]-3:As[5]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]As[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(As[5]C[5,6a]C[6a])(C[6a]N[6a]H)	C[6a](C[5,6a]C[5,6a]As[5])(N[6a]C[6a])(H){1|H<1>,4|C<3>}	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H){1|As<3>,1|C<3>,1|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(As[5]C[5,6a]C[6a])(C[6a]N[6a]H){1|H<1>,5|C<3>}	123.9810	0.163	2	123.9810	0.026	2	123.9810	0.026	2	121.4462	3.530	18	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:1:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]N[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H){1|O<1>,4|C<3>}	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]N[6a]H){1|H<1>,3|C<3>}	121.1040	0.000	1	121.1040	0.000	1	121.1040	0.000	1	121.4462	3.530	18	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:1:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]H)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H){1|O<1>,2|C<3>,2|C<4>}	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]H)(C[5]C[5]O){1|C<3>,2|C<4>,3|H<1>}	121.9410	0.000	1	121.9410	0.000	1	121.6210	0.205	2	121.4462	3.530	18	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:1:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]H)(C[5]N[5]O){1|O<2>,2|C<3>,2|H<1>}	121.3010	0.000	1	121.3010	0.000	1	121.6210	0.205	2	121.4462	3.530	18	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:1:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]H)(N[5]C[5]Zn)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(H){1|Zn<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]H)(N[5]C[5]Zn){1|C<3>,2|H<1>}	118.2140	0.134	2	118.2140	0.018	2	119.2298	2.050	5	121.4462	3.530	18	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:1:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]H)(C[6a]N[6a]N)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]H)(N[5]C[5]Co)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(H){1|Co<6>,1|C<3>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5,6a]H)(C[6a]N[6a]N){1|C<3>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]H)(N[5]C[5]Co){1|C<3>,1|C<4>,1|H<1>}	118.9270	0.000	1	118.9270	0.000	1	119.2298	2.050	5	121.4462	3.530	18	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:1:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]H)(C[6a]N[6a]N)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]H)(N[5]C[5]Cu)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(H){1|Cu<5>,1|C<3>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5,6a]H)(C[6a]N[6a]N){1|C<3>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]H)(N[5]C[5]Cu){1|C<3>,1|C<4>,1|H<1>}	120.3970	1.817	2	120.3970	3.302	2	119.2298	2.050	5	121.4462	3.530	18	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:1:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5,6a]-3:P[5]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a])(C[6a]N[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(N[6a]C[6a])(H){1|H<1>,4|C<3>}	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|P<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a])(C[6a]N[6a]H){1|H<1>,5|C<3>}	123.6980	1.403	2	123.6980	1.968	2	123.6980	1.968	2	121.4462	3.530	18	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:1:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(Br)	N[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]N[6])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]Br)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(Br){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	N[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]N[6]){1|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]Br)(C[5]C[5]HH){1|C<4>,2|H<1>,3|C<3>}	124.6720	0.000	1	124.6720	0.000	1	124.6720	0.000	1	122.3587	2.561	6	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:1:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	N[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]N[5,6a]C[5])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]N[6a]Cl)(C[5]C[5]HH)	C[6a](C[5,6a]N[5,6a]C[5])(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl){1|C<4>,1|N<3>,1|O<1>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]N[6a]Cl)(C[5]C[5]HH){1|C<3>,1|O<1>,4|H<1>}	121.8460	0.000	1	121.8460	0.000	1	121.8460	0.000	1	122.3587	2.561	6	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:1:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[5a,6a])(H)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]N[5a,6a]C[5])(C[6a]N[6a]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[5a,6a])(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[5,6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]N[5a,6a]C[5])(C[6a]N[6a]H)(C[5]C[5]HH){1|C<3>,1|N<2>,4|H<1>}	123.2200	0.000	1	123.2200	0.000	1	123.2200	0.000	1	122.3587	2.561	6	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:1:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]H)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C){1|C<3>,1|C<4>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]H)(C[5]O[5]HH){1|C<3>,1|N<3>,1|O<2>}	121.2410	0.000	1	121.2410	0.000	1	122.1215	1.551	2	122.3587	2.561	6	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:1:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]N[6a]H)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]N[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	123.0020	0.000	1	123.0020	0.000	1	122.1215	1.551	2	122.3587	2.561	6	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:1:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a](C[5,6a]C[5,6a]S[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]H)(C[6a]N[6a]N)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]N[6a]H)(S[5]O[5]OO)	C[6a](C[5,6a]C[5,6a]S[5])(N[6a]C[6a])(H){1|C<4>,1|O<2>,2|N<2>,2|O<1>}	N[6a](C[6a]C[5,6a]H)(C[6a]N[6a]N){1|C<3>,1|S<4>}	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>}	120.1710	0.000	1	120.1710	0.000	1	120.1710	0.000	1	122.3587	2.561	6	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:1:	3:3:	3:4:3:	C[5,6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(F)	N[6a](C[6a]C[5,6a]F)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[6a]O[5]H)(C[6a]N[6a]F)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(F){1|B<3>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[5,6a]F)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[6a]O[5]H)(C[6a]N[6a]F){1|H<1>,1|O<2>,3|C<3>}	124.2830	0.000	1	124.2830	0.000	1	124.2830	0.000	1	122.5066	1.299	15	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:1:	3:3:	3:4:3:	C[5,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5,6]C[5,6]O[6]H)(C[6a]N[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(N[6a]C[6a,6a])(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5,6]C[5,6]O[6]H)(C[6a]N[6a]H){1|Br<1>,4|C<3>}	122.4770	0.000	1	122.4770	0.000	1	122.4770	0.000	1	122.5066	1.299	15	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:1:	3:3:	3:4:3:	C[5,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(H){1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H){1|Cl<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a]H)(C[6a]N[6a]H){6|C<3>}	122.8290	0.000	1	122.8290	0.000	1	122.8290	0.000	1	122.5066	1.299	15	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:1:	3:3:	3:4:3:	C[5,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5,6a]-3:As[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]As[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(As[5]C[5,6a]C[6a]O)(C[6a]N[6a]H)	C[6a](C[5,6a]C[5,6a]As[5])(N[6a]C[6a])(H){1|H<1>,1|O<1>,4|C<3>}	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H){1|As<4>,1|C<3>,1|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(As[5]C[5,6a]C[6a]O)(C[6a]N[6a]H){1|H<1>,5|C<3>}	122.9670	0.400	2	122.9670	0.160	2	122.9670	0.160	2	122.5066	1.299	15	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:1:	3:3:	3:4:3:	C[5,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]N[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]N[6a]H){1|H<1>,1|O<1>,4|C<3>}	121.1690	0.141	2	121.1690	0.020	2	121.4563	0.638	6	122.5066	1.299	15	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:1:	3:3:	3:4:3:	C[5,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]S)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]N[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H){1|C<3>,1|S<2>,2|C<4>,2|H<1>}	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]S){1|C<3>,1|C<4>,1|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]N[6a]H){3|C<3>,3|H<1>}	122.6390	0.000	1	122.6390	0.000	1	121.4563	0.638	6	122.5066	1.299	15	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:1:	3:3:	3:4:3:	C[5,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H){1|C<3>,1|C<4>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[6a]H)(C[6a]N[6a]H){5|C<3>}	120.7675	0.252	2	120.7675	0.064	2	121.4563	0.638	6	122.5066	1.299	15	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:1:	3:3:	3:4:3:	C[5,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]H)(C[6a]N[6a]N)	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]HH)(C[6a]N[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H){1|N<2>,1|N<3>,2|C<4>,2|H<1>}	N[6a](C[6a]C[5,6a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>}	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]HH)(C[6a]N[6a]H){1|C<3>,1|H<1>,3|C<4>}	122.2260	0.000	1	122.2260	0.000	1	121.4563	0.638	6	122.5066	1.299	15	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:1:	3:3:	3:4:3:	C[5,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]O)(C[6a]N[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(N[6a]C[6a])(H){1|H<1>,1|O<1>,4|C<3>}	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|P<4>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]O)(C[6a]N[6a]H){1|H<1>,5|C<3>}	122.6860	0.214	2	122.6860	0.046	2	122.6860	0.046	2	122.5066	1.299	15	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:1:	3:3:	3:4:3:	C[5,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]2)(C[6a]N[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(N[6a]C[6a])(H){1|H<1>,5|C<3>}	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]2)(C[6a]N[6a]H){1|H<1>,7|C<3>}	123.9830	0.245	2	123.9830	0.060	2	123.9830	0.060	2	122.5066	1.299	15	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:2:	3:2:	3:3:3:	C[5,6a]-3:N[6a]-2:S-2:	C[6a]-3:N[6a]-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(SC)	N[6a](C[6a]C[5,6a]S)(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]S)	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(SC){4|C<3>}	N[6a](C[6a]C[5,6a]S)(N[6a]C[6a]){1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]S){1|C<4>,1|N<2>,1|S<2>,3|C<3>}	122.2245	0.165	2	122.2390	0.014	3	122.2390	0.014	3	122.2390	0.014	3	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:2:	3:2:	3:3:3:	C[5,6a]-3:N[6a]-2:S-2:	C[6a]-3:N[6a]-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(SC)	N[6a](C[6a]C[5,6a]S)(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]S)	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(SC){4|C<3>}	N[6a](C[6a]C[5,6a]S)(N[6a]C[6a]){1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]S){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	122.2680	0.000	1	122.2390	0.014	3	122.2390	0.014	3	122.2390	0.014	3	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:2:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NH)	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]O)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NH){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]O){1|C<3>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H){1|C<3>,3|H<1>}	113.8780	0.000	1	113.8780	0.000	1	113.8780	0.000	1	117.2705	12.717	13	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:2:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:O-2:	C[5a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[5a,6a])(OH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5,6a]O)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]N[6a]O)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[5a,6a])(OH){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5,6a]O){1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]N[6a]O)(C[5]C[5]O){1|H<1>,4|C<3>}	123.8970	0.000	1	123.8970	0.000	1	123.8970	0.000	1	117.2705	12.717	13	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:2:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(OC)	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]O)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]O)(C[5]O[5]O){1|C<3>,1|H<1>,2|C<4>}	121.1660	0.000	1	121.1660	0.000	1	121.1660	0.000	1	117.2705	12.717	13	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:2:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(OZn)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Zn)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(OZn){1|Zn<4>,1|C<3>,1|N<3>,2|N<2>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N){1|C<3>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Zn){1|C<3>,1|C<4>,1|H<1>}	112.1940	0.000	1	112.1940	0.000	1	112.1940	0.000	1	117.2705	12.717	13	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:2:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(SAg)	N[6a](C[6a]C[5,6a]S)(C[6a]N[6a]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]S)(N[5]C[5]Ag)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(SAg){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5,6a]S)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]S)(N[5]C[5]Ag){1|C<3>,2|H<1>}	112.3230	0.000	1	112.3230	0.000	1	117.0424	6.971	9	117.2705	12.717	13	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:2:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(SCo)	N[6a](C[6a]C[5,6a]S)(C[6a]N[6a]N)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]S)(N[5]C[5]Co)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(SCo){1|C<3>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5,6a]S)(C[6a]N[6a]N){1|C<3>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]S)(N[5]C[5]Co){1|C<3>,1|C<4>,1|H<1>}	118.6480	0.360	4	118.6348	0.080	6	117.0424	6.971	9	117.2705	12.717	13	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:2:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(SCo)	N[6a](C[6a]C[5,6a]S)(C[6a]N[6a]N)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]S)(N[5]C[5]Co)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(SCo){1|C<3>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5,6a]S)(C[6a]N[6a]N){1|C<3>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]S)(N[5]C[5]Co){1|Co<6>,1|C<3>,1|H<1>}	118.6085	0.090	2	118.6348	0.080	6	117.0424	6.971	9	117.2705	12.717	13	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:2:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(SCu)	N[6a](C[6a]C[5,6a]S)(C[6a]N[6a]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]S)(N[5]C[5]Cu)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(SCu){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5,6a]S)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]S)(N[5]C[5]Cu){1|C<3>,2|H<1>}	116.3850	0.000	1	116.3850	0.000	1	117.0424	6.971	9	117.2705	12.717	13	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:2:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(SRu)	N[6a](C[6a]C[5,6a]S)(C[6a]N[6a]N)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]S)(N[5]C[5]Ru)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(SRu){1|C<3>,1|N<3>,2|N<2>}	N[6a](C[6a]C[5,6a]S)(C[6a]N[6a]N){1|C<3>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]S)(N[5]C[5]Ru){1|C<3>,2|H<1>}	112.8650	0.000	1	112.8650	0.000	1	117.0424	6.971	9	117.2705	12.717	13	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:2:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(OC)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]S)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]N[6a]O)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(OC){1|N<2>,1|S<2>,2|C<4>,2|H<1>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]S){1|C<3>,1|C<4>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]N[6a]O)(C[5]C[5]HH){1|C<3>,4|H<1>}	122.3335	0.175	2	122.3335	0.031	2	122.3335	0.031	2	122.3335	0.031	2	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:3:	3:2:	3:3:3:	C[5,6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(CNO)	N[6a](C[6a]C[5,6a]C)(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]C)	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(CNO){4|C<3>}	N[6a](C[6a]C[5,6a]C)(N[6a]C[6a]){3|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]C){1|H<1>,1|N<2>,4|C<3>}	122.0207	0.572	4	122.0207	0.327	4	122.4297	0.470	8	122.4297	0.470	8	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:3:	3:2:	3:3:3:	C[5,6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(COO)	N[6a](C[6a]C[5,6a]C)(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]C)	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(COO){4|C<3>}	N[6a](C[6a]C[5,6a]C)(N[6a]C[6a]){3|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]C){1|C<4>,1|N<2>,4|C<3>}	123.5240	0.000	1	122.8388	0.323	4	122.4297	0.470	8	122.4297	0.470	8	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:3:	3:2:	3:3:3:	C[5,6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(COO)	N[6a](C[6a]C[5,6a]C)(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]C)	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(COO){4|C<3>}	N[6a](C[6a]C[5,6a]C)(N[6a]C[6a]){3|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]C){1|H<1>,1|N<2>,4|C<3>}	122.6103	0.413	3	122.8388	0.323	4	122.4297	0.470	8	122.4297	0.470	8	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:2:	C[5,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a](C[5,6a]C[5,6a]S[5])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a]){1|H<1>,1|S<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(S[5]C[5]){4|C<3>,4|H<1>}	121.2970	0.000	1	121.2970	0.000	1	121.2970	0.000	1	121.2970	0.000	1	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(N[6a]C[6a])(COO)	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]C)	C[6a](C[5,6a]C[5,6a]2)(N[6a]C[6a])(COO){1|H<1>,4|C<3>}	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H){3|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]C){1|H<1>,5|C<3>}	122.4550	0.000	1	122.4550	0.000	1	122.4550	0.000	1	118.2228	3.087	31	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])	C[6a](C[5,6a]C[5,6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a]){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a]){1|H<1>,1|O<2>,7|C<3>}	121.8220	0.000	1	121.8220	0.000	1	121.8220	0.000	1	118.2228	3.087	31	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(C[5]N[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|N<2>,1|N<3>,2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a]){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(C[5]N[5]N){1|O<1>,5|C<3>}	119.8010	0.000	1	119.8010	0.000	1	119.7368	0.198	5	118.2228	3.087	31	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a]){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(C[5]N[5]O){1|O<1>,5|C<3>}	120.3220	0.000	1	119.9047	0.191	3	119.7368	0.198	5	118.2228	3.087	31	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a]){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(C[5]N[5]O){1|O<1>,5|C<3>}	119.6960	0.346	2	119.9047	0.191	3	119.7368	0.198	5	118.2228	3.087	31	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(C[5]N[5]S)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|N<3>,1|S<1>,2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a]){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(C[5]N[5]S){1|O<1>,5|C<3>}	119.1690	0.000	1	119.1690	0.000	1	119.7368	0.198	5	118.2228	3.087	31	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(NHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]N)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]O)(C[6a]N[6a]N)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(NHH){1|O<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]N){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]O)(C[6a]N[6a]N){4|C<3>}	120.8380	0.000	1	120.8380	0.000	1	120.8380	0.000	1	118.2228	3.087	31	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(NC[6]H)	N[6a](C[6a]C[5,6a]N)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]N)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(NC[6]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	N[6a](C[6a]C[5,6a]N)(C[6a]C[6a]O){3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]N)(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>}	119.4490	0.000	1	119.4490	0.000	1	119.4535	0.000	2	118.2228	3.087	31	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5,6a]N)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]N)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(NHH){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	N[6a](C[6a]C[5,6a]N)(C[6a]C[6a]O){3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]N)(C[5]N[5]O){1|H<1>,1|O<1>,2|C<3>}	119.4580	0.000	1	119.4580	0.000	1	119.4535	0.000	2	118.2228	3.087	31	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NCH)	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]Cl)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Pt)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NCH){1|Cl<1>,1|Pt<4>,1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]Cl){1|C<3>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Pt){1|C<3>,1|C<4>,1|H<1>}	117.9910	0.105	2	117.9910	0.011	2	117.1752	0.742	19	118.2228	3.087	31	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NCH)	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NCH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H){1|C<3>,2|H<1>}	117.2350	0.724	3	117.2350	0.524	3	117.1752	0.742	19	118.2228	3.087	31	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NCH)	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Rh)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NCH){1|Rh<8>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Rh){1|C<3>,1|C<4>,1|H<1>}	117.2330	1.585	2	117.2330	2.513	2	117.1752	0.742	19	118.2228	3.087	31	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]C){1|Zn<4>,1|C<3>,1|H<1>}	116.3640	0.000	1	116.3640	0.000	1	117.1752	0.742	19	118.2228	3.087	31	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H){1|Co<6>,1|C<3>,1|H<1>}	116.8837	0.316	4	116.8416	0.084	5	117.1752	0.742	19	118.2228	3.087	31	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H){1|Ir<8>,1|C<3>,1|C<4>}	116.6730	0.000	1	116.8416	0.084	5	117.1752	0.742	19	118.2228	3.087	31	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Ir)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH){1|Ir<8>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Ir){1|C<3>,1|C<4>,1|H<1>}	117.5470	0.000	1	117.5470	0.000	1	117.1752	0.742	19	118.2228	3.087	31	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Os)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH){1|Os<9>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Os){1|C<3>,1|C<4>,1|H<1>}	117.6130	0.000	1	117.6130	0.000	1	117.1752	0.742	19	118.2228	3.087	31	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Pt)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH){1|Pt<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Pt){1|C<3>,1|C<4>,1|H<1>}	117.9330	1.861	2	117.9330	3.464	2	117.1752	0.742	19	118.2228	3.087	31	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Ru)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH){1|Ru<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Ru){1|C<3>,1|C<4>,1|H<1>}	116.7160	0.000	1	116.7160	0.000	1	117.1752	0.742	19	118.2228	3.087	31	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]N)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Co)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH){1|Co<6>,1|C<3>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]N){1|C<3>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Co){1|C<3>,2|H<1>}	115.8610	0.000	1	115.8610	0.000	1	117.1752	0.742	19	118.2228	3.087	31	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[5,6a]N[5])(C[6a]N[6a]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N[5])(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(N[5]C[5]2){1|C<3>,1|N<2>,1|N<3>,2|C<4>,2|H<1>,2|O<1>}	N[6a](C[6a]C[5,6a]N[5])(C[6a]N[6a]H){1|N<3>,3|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N[5])(N[5]C[5]H){2|H<1>,3|C<3>}	119.5580	0.000	1	119.5580	0.000	1	119.5580	0.000	1	118.2228	3.087	31	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:S-3:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(SCu2)	N[6a](C[6a]C[5,6a]S)(C[6a]N[6a]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]S)(N[5]C[5]Cu)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(SCu2){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5,6a]S)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]S)(N[5]C[5]Cu){1|C<3>,2|H<1>}	116.3140	0.000	1	116.3140	0.000	1	116.3140	0.000	1	118.2228	3.087	31	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:C-3:	C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]C)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(COO){1|H<1>,2|C<3>,3|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]C)(C[5]C[5]CH){3|C<3>,3|H<1>}	123.0930	0.000	1	123.0930	0.000	1	123.3585	0.141	2	121.5200	2.076	7	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:C-3:	C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(COO){2|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH){3|C<3>,3|H<1>}	123.6240	0.000	1	123.6240	0.000	1	123.3585	0.141	2	121.5200	2.076	7	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|N<3>,4|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(C[5]N[5]HH){1|O<1>,5|C<3>}	120.7000	0.000	1	120.7000	0.000	1	120.7507	0.944	4	121.5200	2.076	7	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(C[5]N[5]HO)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|N<3>,1|O<2>,3|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(C[5]N[5]HO){1|O<1>,5|C<3>}	120.9450	0.000	1	120.9450	0.000	1	120.7507	0.944	4	121.5200	2.076	7	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|O<2>,4|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(C[5]O[5]HH){1|O<1>,4|C<3>}	119.5000	0.000	1	119.5000	0.000	1	120.7507	0.944	4	121.5200	2.076	7	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]N[6a])(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	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>}	121.8580	0.000	1	121.8580	0.000	1	120.7507	0.944	4	121.5200	2.076	7	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]O)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]N[6a]N)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(NHH){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]O){1|C<3>,2|C<4>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]N[6a]N)(C[5]C[5]HH){1|C<3>,1|C<4>,4|H<1>}	120.9200	0.000	1	120.9200	0.000	1	120.9200	0.000	1	121.5200	2.076	7	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:4:3:	C[5,6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(NCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]N)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5]C[6a]N[5]O)(C[6a]N[6a]N)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(NCH){1|N<3>,1|O<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]N){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5]C[6a]N[5]O)(C[6a]N[6a]N){1|C<4>,1|O<1>,4|C<3>}	121.1305	0.353	2	121.1305	0.125	2	121.1305	0.125	2	120.5770	0.981	3	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:4:3:	C[5,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a]N[6a])(C[6a]C[5,6a]N)	C[5,6a](C[5,6a]N[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]N[6a]N)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(NHH){1|C<4>,1|N<2>,1|N<3>,3|C<3>}	N[6a](C[6a]C[5a]N[6a])(C[6a]C[5,6a]N){1|C<4>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]N[6a]N){1|H<1>,1|O<1>,3|C<3>}	119.4700	0.000	1	119.4700	0.000	1	119.4700	0.000	1	120.5770	0.981	3	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	4:3:3:	C[5,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]N)	C[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]N[6a]O[5])(C[6a]N[6a]N)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]N){1|C<3>,1|C<4>}	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>}	119.7210	0.000	1	119.7210	0.000	1	119.7210	0.000	1	119.7210	0.000	1	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:4:	3:2:	3:3:3:	C[5,6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(CC[6a]HH)	N[6a](C[6a]C[5,6a]C)(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]C)	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(CC[6a]HH){4|C<3>}	N[6a](C[6a]C[5,6a]C)(N[6a]C[6a]){1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]C){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	120.8175	0.158	2	120.8175	0.025	2	120.8743	0.013	4	120.8743	0.013	4	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:4:	3:2:	3:3:3:	C[5,6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(CH3)	N[6a](C[6a]C[5,6a]C)(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]C)	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(CH3){4|C<3>}	N[6a](C[6a]C[5,6a]C)(N[6a]C[6a]){1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]C){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	120.9310	0.018	2	120.9310	0.000	2	120.8743	0.013	4	120.8743	0.013	4	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:4:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]C)(C[5]N[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(CH3){1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]C)(C[5]N[5]C){1|O<1>,3|C<3>}	120.0550	0.000	1	120.0550	0.000	1	119.7460	0.191	2	119.7493	0.096	3	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:4:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]C)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(CH3){1|N<3>,1|O<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C){1|Cl<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]C)(C[5]N[5]O){1|O<1>,3|C<3>}	119.4370	0.000	1	119.4370	0.000	1	119.7460	0.191	2	119.7493	0.096	3	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:4:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(CC3)	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]N[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(CC3){1|C<4>,1|O<1>,3|C<3>}	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]N[6a]C){1|H<1>,3|C<3>}	119.7560	0.000	1	119.7560	0.000	1	119.7560	0.000	1	119.7493	0.096	3	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:4:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[5a,6a])(CH3)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[5,6a]C)	C[5,6a](C[5,6a]N[5a,6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[5a,6a])(CH3){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[5,6a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]N[5a,6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH){1|C<3>,1|N<2>,4|H<1>}	121.7720	0.222	4	121.8618	0.271	6	121.8618	0.271	6	121.4228	0.475	11	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:4:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[5a,6a])(CH3)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[5,6a]C)	C[5,6a](C[5,6a]N[5a,6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[5a,6a])(CH3){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[5,6a]C){1|C<4>,1|N<2>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]N[5a,6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH){1|C<3>,1|N<2>,4|H<1>}	122.0415	1.054	2	121.8618	0.271	6	121.8618	0.271	6	121.4228	0.475	11	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:4:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(CCHH){2|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH){2|C<3>,4|H<1>}	121.2700	0.000	1	121.2700	0.000	1	121.2700	0.000	1	121.4228	0.475	11	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:4:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(CH3)	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(CH3){1|C<3>,2|H<1>,3|C<4>}	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C){1|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH){1|C<4>,2|H<1>,3|C<3>}	120.5480	0.000	1	120.5480	0.000	1	120.8025	0.225	4	121.4228	0.475	11	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:4:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(CH3)	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]C)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]N){1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]C)(C[5]N[5]HH){1|S<4>,2|C<3>,2|H<1>}	120.7770	0.000	1	120.7770	0.000	1	120.8025	0.225	4	121.4228	0.475	11	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:4:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(CH3)	N[6a](C[6a]C[5,6a]C)(C[6a]N[6a]N)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(CH3){1|N<2>,1|N<3>,2|C<4>,2|H<1>}	N[6a](C[6a]C[5,6a]C)(C[6a]N[6a]N){1|C<3>,1|C<4>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH){2|H<1>,3|C<3>}	120.4080	0.000	1	120.4080	0.000	1	120.8025	0.225	4	121.4228	0.475	11	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:4:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]N[6])(C[6a]C[5,6a]C)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]N[6a]C)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[5,6a]C){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]N[6a]C)(C[5]O[5]HH){1|C<3>,1|H<1>,2|C<4>}	121.4770	0.000	1	121.4770	0.000	1	120.8025	0.225	4	121.4228	0.475	11	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:4:	3:3:	3:4:3:	C[5,6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(N[6a]C[6a,6a])(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C)	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[5,6]C[5,6]N[6]C)(C[6a]N[6a]C)	C[6a](C[5,6a]C[5,6a]C[5,6])(N[6a]C[6a,6a])(CH3){1|N<3>,2|C<3>,3|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[5,6]C[5,6]N[6]C)(C[6a]N[6a]C){4|C<3>,4|H<1>}	121.4410	0.000	1	121.4410	0.000	1	121.4410	0.000	1	121.9745	0.569	2	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:4:	3:3:	3:4:3:	C[5,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]O[5]CC)(C[6a]N[6a]C)	C[6a](C[5,6a]C[5,6a]Si[5])(N[6a]C[6a])(CCHH){1|C<3>,1|O<2>,4|C<4>}	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C){1|Si<4>,1|C<3>,1|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]O[5]CC)(C[6a]N[6a]C){1|C<3>,3|H<1>}	122.5080	0.000	1	122.5080	0.000	1	122.5080	0.000	1	121.9745	0.569	2	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:2:4:	3:3:	4:3:3:	C[5,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(N[6a]C[6a])(CH3)	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)	C[5,6a](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[6a]C[5])(C[6a]N[6a]C)	C[6a](C[5,6a]C[5,6a]C[5,6])(N[6a]C[6a])(CH3){2|C<4>,4|C<3>}	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C){1|C<3>,1|C<4>,1|H<1>}	C[5,6a](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[6a]C[5])(C[6a]N[6a]C){2|C<4>,3|H<1>,4|C<3>}	121.4170	0.371	2	121.4170	0.137	2	121.4170	0.137	2	121.4170	0.137	2	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:2:	3:2:	3:3:3:	C[5,6a]-3:C[5a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[5a]C[5a]O[5a])(N[6a]N[6a])	N[6a](C[6a]C[5,6a]C[5a])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5a]N[6a])	C[6a](C[5,6a]C[5,6a]2)(C[5a]C[5a]O[5a])(N[6a]N[6a]){1|H<1>,6|C<3>}	N[6a](C[6a]C[5,6a]C[5a])(N[6a]C[6a]){1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5a]N[6a]){1|C<4>,1|N<2>,1|O<2>,5|C<3>}	121.7825	0.230	2	121.7825	0.053	2	121.6687	0.065	3	120.6230	1.903	28	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:2:	3:2:	3:3:3:	C[5,6a]-3:C[5a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[5a]C[5a]S[5a])(N[6a]N[6a])	N[6a](C[6a]C[5,6a]C[5a])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5a]N[6a])	C[6a](C[5,6a]C[5,6a]2)(C[5a]C[5a]S[5a])(N[6a]N[6a]){1|H<1>,6|C<3>}	N[6a](C[6a]C[5,6a]C[5a])(N[6a]C[6a]){1|S<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5a]N[6a]){1|H<1>,1|N<2>,1|S<2>,5|C<3>}	121.4410	0.000	1	121.4410	0.000	1	121.6687	0.065	3	120.6230	1.903	28	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:2:	3:2:	3:3:3:	C[5,6a]-3:C[5a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5a]C[5a]O[5a])(N[6a]N[6a])	N[6a](C[6a]C[5,6a]C[5a])(N[6a]C[6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a]N[6a])(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[5a]C[5a]O[5a])(N[6a]N[6a]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[6a](C[6a]C[5,6a]C[5a])(N[6a]C[6a]){1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a]N[6a])(C[5]N[5]O){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|C<3>}	118.8003	0.218	4	118.8003	0.047	4	118.5563	0.171	6	120.6230	1.903	28	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:2:	3:2:	3:3:3:	C[5,6a]-3:C[5a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5a]C[5a]S[5a])(N[6a]N[6a])	N[6a](C[6a]C[5,6a]C[5a])(N[6a]C[6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a]N[6a])(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[5a]C[5a]S[5a])(N[6a]N[6a]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[6a](C[6a]C[5,6a]C[5a])(N[6a]C[6a]){1|S<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a]N[6a])(C[5]N[5]O){1|C<4>,1|N<2>,1|O<1>,1|S<2>,2|C<3>}	118.0685	0.005	2	118.0685	0.000	2	118.5563	0.171	6	120.6230	1.903	28	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:2:	3:2:	3:3:3:	C[5,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](C[6a]C[5,6a]C[6a])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(N[6a]N[6a]){1|H<1>,1|O<2>,6|C<3>}	N[6a](C[6a]C[5,6a]C[6a])(N[6a]C[6a]){5|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a]){1|C<4>,1|N<2>,6|C<3>}	120.8750	0.000	1	120.4538	0.281	11	120.9139	0.670	17	120.6230	1.903	28	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:2:	3:2:	3:3:3:	C[5,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](C[6a]C[5,6a]C[6a])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(N[6a]N[6a]){1|H<1>,1|O<2>,6|C<3>}	N[6a](C[6a]C[5,6a]C[6a])(N[6a]C[6a]){5|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,1|N<2>,6|C<3>}	120.2736	0.491	8	120.4538	0.281	11	120.9139	0.670	17	120.6230	1.903	28	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:2:	3:2:	3:3:3:	C[5,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](C[6a]C[5,6a]C[6a])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(N[6a]N[6a]){2|H<1>,6|C<3>}	N[6a](C[6a]C[5,6a]C[6a])(N[6a]C[6a]){5|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a]){1|C<4>,1|N<2>,6|C<3>}	121.2570	0.000	1	120.4538	0.281	11	120.9139	0.670	17	120.6230	1.903	28	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:2:	3:2:	3:3:3:	C[5,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](C[6a]C[5,6a]C[6a])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(N[6a]N[6a]){2|H<1>,6|C<3>}	N[6a](C[6a]C[5,6a]C[6a])(N[6a]C[6a]){5|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,1|N<2>,6|C<3>}	120.6710	0.000	1	120.4538	0.281	11	120.9139	0.670	17	120.6230	1.903	28	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:2:	3:2:	3:3:3:	C[5,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N[6a])(N[6a]N[6a])	N[6a](C[6a]C[5,6a]C[6a])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N[6a])(N[6a]N[6a]){1|H<1>,6|C<3>}	N[6a](C[6a]C[5,6a]C[6a])(N[6a]C[6a]){1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,2|N<2>,5|C<3>}	121.5005	0.412	4	121.5005	0.170	4	120.9139	0.670	17	120.6230	1.903	28	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:2:	3:2:	3:3:3:	C[5,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]2)(N[6a]N[6a])	N[6a](C[6a]C[5,6a]C[6a])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]2)(N[6a]N[6a]){6|C<3>}	N[6a](C[6a]C[5,6a]C[6a])(N[6a]C[6a]){2|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,3|N<2>,4|C<3>}	122.2715	0.046	2	122.2715	0.002	2	120.9139	0.670	17	120.6230	1.903	28	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:2:	3:2:	3:3:3:	C[5,6a]-3:N[5a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(N[5a]C[5a]N[5a])(N[6a]N[6a])	N[6a](C[6a]C[5,6a]N[5a])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[5a]N[6a])	C[6a](C[5,6a]C[5,6a]2)(N[5a]C[5a]N[5a])(N[6a]N[6a]){1|C<4>,6|C<3>}	N[6a](C[6a]C[5,6a]N[5a])(N[6a]C[6a]){1|N<2>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[5a]N[6a]){1|H<1>,1|N<3>,2|N<2>,4|C<3>}	122.7815	0.111	2	122.7815	0.012	2	122.7815	0.012	2	120.6230	1.903	28	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:2:	C[5,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N[6a])(N[6a]C[6a])	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(N[5]C[5,6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N[6a])(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<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>}	119.9655	0.334	2	119.9655	0.112	2	119.9655	0.112	2	119.9655	0.112	2	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[5a]C[5a]O[5a])(N[6a]C[6a])	N[6a](C[6a]C[5,6a]C[5a])(C[6a]N[6a]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5a]N[6a])(N[5]C[5]Pt)	C[6a](C[5,6a]C[5,6a]N[5])(C[5a]C[5a]O[5a])(N[6a]C[6a]){1|Pt<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	N[6a](C[6a]C[5,6a]C[5a])(C[6a]N[6a]H){1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5a]N[6a])(N[5]C[5]Pt){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	117.6530	0.000	1	117.6530	0.000	1	117.6530	0.000	1	118.2892	5.922	6	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N[6a])(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2){7|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N[6a])(C[5]C[5]O){1|H<1>,5|C<3>}	120.4660	0.000	1	119.9330	0.568	2	119.9330	0.568	2	118.2892	5.922	6	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N[6a])(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2){7|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N[6a])(C[5]C[5]O){1|Ni<4>,5|C<3>}	119.4000	0.000	1	119.9330	0.568	2	119.9330	0.568	2	118.2892	5.922	6	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5,6a]C[6a])(C[6a]N[6a]Cl)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]N[6a])(N[5]C[5]Ir)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]2)(N[6a]C[6a]){1|Cl<1>,1|Ir<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	N[6a](C[6a]C[5,6a]C[6a])(C[6a]N[6a]Cl){1|N<3>,3|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]N[6a])(N[5]C[5]Ir){1|C<4>,1|H<1>,3|C<3>}	115.5475	0.426	2	115.5475	0.182	2	115.5475	0.182	2	118.2892	5.922	6	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[5,6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(N[6a]C[6a]){1|O<2>,8|C<3>}	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6a]){1|O<1>,2|H<1>,5|C<3>}	121.1210	0.000	1	121.1210	0.000	1	121.1210	0.000	1	118.2892	5.922	6	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]C[6a])(N[6a]C[6a])	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6a])(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]C[6a])(N[6a]C[6a]){2|C<4>,3|H<1>,5|C<3>}	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2){2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6a])(C[5]C[5]HH){1|C<4>,2|H<1>,5|C<3>}	120.7890	0.000	1	120.7890	0.000	1	120.6310	0.029	4	120.6310	0.029	4	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5,6a]HO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(N[6a]C[6a]){1|O<2>,3|H<1>,6|C<3>}	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5,6a]HO){6|C<3>}	120.4020	0.000	1	120.4020	0.000	1	120.6310	0.029	4	120.6310	0.029	4	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6a])(N[6a]C[6a])	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6a])(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6a])(N[6a]C[6a]){2|C<4>,3|H<1>,4|C<3>}	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2){2|C<4>,2|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6a])(C[5]C[5]HH){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	120.6120	0.000	1	120.6120	0.000	1	120.6310	0.029	4	120.6310	0.029	4	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6a])(N[6a]C[6a])	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6a])(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6a])(N[6a]C[6a]){1|C<2>,2|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6a])(C[5]C[5]HH){1|N<2>,3|C<3>,4|H<1>}	120.7210	0.000	1	120.7210	0.000	1	120.6310	0.029	4	120.6310	0.029	4	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:4:2:	3:2:	3:3:3:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5]C[5]2Fe)(N[6a]N[6a])	N[6a](C[6a]C[5,6a]C[5])(N[6a]C[6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]C[5])(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[5]C[5]2Fe)(N[6a]N[6a]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	N[6a](C[6a]C[5,6a]C[5])(N[6a]C[6a]){1|Fe<10>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]C[5])(C[5]C[5]O){1|Fe<10>,1|H<1>,1|N<2>,1|O<1>,4|C<4>}	119.2645	0.005	2	119.2645	0.000	2	119.2645	0.000	2	119.2645	0.000	2	120.3765	5.480	172	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:1:	3:3:	3:2:3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a])(H){4|C<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	122.2120	0.000	1	122.2120	0.000	1	122.2120	0.000	1	122.2120	0.000	1	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:1:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a,6a])(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]Cl)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]Cl)(N[5a]N[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a,6a])(Cl){1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]Cl){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]Cl)(N[5a]N[5a]){1|C<3>,1|C<4>,1|N<2>}	124.1127	0.047	3	124.1127	0.002	3	124.1127	0.002	3	121.7831	0.840	66	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:1:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]Cl)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]Cl)(N[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>}	122.7625	0.257	2	122.7625	0.066	2	121.7571	0.375	47	121.7831	0.840	66	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:1:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]Cl)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	N[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]Cl)(N[5a]S[5a]){1|Br<1>,1|C<3>}	122.0780	0.000	1	122.0780	0.000	1	121.7571	0.375	47	121.7831	0.840	66	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:1:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]Cl){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	121.6371	0.410	8	121.5009	0.203	11	121.7571	0.375	47	121.7831	0.840	66	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:1:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]Cl){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,2|H<1>}	120.9840	0.412	2	121.5009	0.203	11	121.7571	0.375	47	121.7831	0.840	66	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:1:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]Cl){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|H<1>,2|C<3>}	121.4450	0.000	1	121.5009	0.203	11	121.7571	0.375	47	121.7831	0.840	66	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:1:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a,6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a,6]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a,6]){1|C<3>,2|C<4>}	121.8610	0.000	1	121.8610	0.000	1	121.7571	0.375	47	121.7831	0.840	66	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:1:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	121.5401	0.361	20	121.5279	0.118	23	121.7571	0.375	47	121.7831	0.840	66	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:1:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,1|H<1>,1|S<4>}	121.3305	0.155	2	121.5279	0.118	23	121.7571	0.375	47	121.7831	0.840	66	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:1:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|Co<6>,1|C<3>,1|H<1>}	121.6790	0.000	1	121.5279	0.118	23	121.7571	0.375	47	121.7831	0.840	66	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:1:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]I)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|C<3>,1|I<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]I){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,2|H<1>}	120.5900	0.000	1	120.5900	0.000	1	121.7571	0.375	47	121.7831	0.840	66	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:1:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|C<3>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]N){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	122.7332	0.474	4	122.6100	0.189	8	121.7571	0.375	47	121.7831	0.840	66	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:1:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|C<3>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]N){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,2|H<1>}	122.9470	0.000	1	122.6100	0.189	8	121.7571	0.375	47	121.7831	0.840	66	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:1:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|C<3>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]N){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|H<1>,2|C<3>}	122.3333	0.350	3	122.6100	0.189	8	121.7571	0.375	47	121.7831	0.840	66	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:1:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]N[6a])	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]Cl)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a])(Cl){1|N<2>,3|C<3>}	N[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]N[6a]){1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]Cl)(S[5a]C[5a]){1|C<3>,1|H<1>,1|I<1>}	122.3840	0.000	1	122.3840	0.000	1	122.3840	0.000	1	121.7831	0.840	66	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:1:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[5a,6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[5a,6a])(H){2|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	122.2280	0.000	1	122.2280	0.000	1	122.2280	0.000	1	121.7831	0.840	66	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:1:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(H){1|N<2>,1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]H)(N[5a]N[5a]){3|C<3>}	121.4400	0.000	1	121.4400	0.000	1	121.4400	0.000	1	121.7831	0.840	66	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:1:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H){1|C<3>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]N){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	120.5128	0.365	6	120.5128	0.133	6	120.5128	0.133	6	121.7831	0.840	66	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:1:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a])(H){4|C<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(O[5a]C[5a]){2|C<3>,2|H<1>}	120.2140	0.383	2	120.2140	0.147	2	120.2140	0.147	2	121.7831	0.840	66	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:1:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a])(H){1|H<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|S<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(S[5a]C[5a]){1|C<3>,3|H<1>}	122.0650	0.000	1	122.0650	0.000	1	122.0650	0.000	1	121.7831	0.840	66	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:1:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(H){1|H<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a]){1|Cl<1>,1|C<3>,2|H<1>}	122.9420	0.000	1	123.0113	0.115	3	122.7852	0.281	4	121.7831	0.840	66	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:1:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(H){1|H<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	123.0460	0.472	2	123.0113	0.115	3	122.7852	0.281	4	121.7831	0.840	66	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:1:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(H){1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|Cl<1>,1|N<2>,1|N<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]N[5a]){1|Cl<1>,1|C<3>,1|H<1>}	122.1070	0.000	1	122.1070	0.000	1	122.7852	0.281	4	121.7831	0.840	66	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:Br-1:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(Br)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]Br)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]Br)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(Br){1|S<4>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]Br){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]Br)(N[5a]C[5a]S){2|C<3>,2|H<1>}	123.2550	0.000	1	123.2550	0.000	1	123.2550	0.000	1	122.0567	2.958	72	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Br)	N[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]N[6a]Br)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Br){1|H<1>,1|S<4>,3|C<3>}	N[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]N[6a]Br){1|H<1>,3|C<3>}	122.1590	0.000	1	122.1590	0.000	1	122.1590	0.000	1	122.0567	2.958	72	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]Cl)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]Cl)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])(Cl){1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]Cl){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]Cl){2|H<1>,4|C<3>}	125.7130	0.000	1	125.7130	0.000	1	125.7130	0.000	1	122.0567	2.958	72	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(N[6a]C[6a])(Cl){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H){2|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl){1|C<4>,1|H<1>,3|C<3>}	123.8820	0.000	1	123.8820	0.000	1	123.8820	0.000	1	122.0567	2.958	72	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(Cl){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(C[5a]C[5a]H){1|C<3>,2|H<1>}	123.3570	0.000	1	123.1635	0.075	2	122.9497	0.089	4	122.0567	2.958	72	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(Cl){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H){2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|P<4>}	122.9700	0.000	1	123.1635	0.075	2	122.9497	0.089	4	122.0567	2.958	72	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]S)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(Cl){1|H<1>,1|N<3>,1|S<2>,2|N<2>}	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]S){2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(C[5a]N[5a]H){1|C<3>,1|C<4>}	122.8050	0.000	1	122.7360	0.010	2	122.9497	0.089	4	122.0567	2.958	72	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]S)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(Cl){1|H<1>,1|N<3>,1|S<4>,2|N<2>}	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]S){2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(C[5a]N[5a]H){1|C<3>,1|C<4>}	122.6670	0.000	1	122.7360	0.010	2	122.9497	0.089	4	122.0567	2.958	72	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|C<4>,2|N<2>}	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]Cl){1|C<3>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]C){1|C<3>,1|H<1>}	121.0850	0.000	1	121.0850	0.000	1	121.2199	0.034	8	122.0567	2.958	72	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|H<1>,2|N<2>}	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]Cl){1|C<3>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]H){1|C<3>,1|H<1>}	121.1140	0.000	1	121.1140	0.000	1	121.2199	0.034	8	122.0567	2.958	72	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|H<1>}	121.2665	0.217	2	121.2665	0.047	2	121.2199	0.034	8	122.0567	2.958	72	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>}	121.5780	0.000	1	121.2567	0.050	4	121.2199	0.034	8	122.0567	2.958	72	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]C){1|C<3>,1|H<1>}	121.1497	0.083	3	121.2567	0.050	4	121.2199	0.034	8	122.0567	2.958	72	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]C[5a]C[5])(C[6a]N[6a]Cl)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|C<4>,2|N<2>}	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]Cl){1|C<3>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]C[5a]C[5])(C[6a]N[6a]Cl){1|C<4>,2|C<3>,2|H<1>}	120.9200	0.201	2	120.9200	0.040	2	120.9200	0.040	2	122.0567	2.958	72	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(F)	N[6a](C[6a]C[5a,6a]F)(C[6a]C[6a]F)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]N[6a]F)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(F){1|F<1>,1|S<2>,3|C<3>}	N[6a](C[6a]C[5a,6a]F)(C[6a]C[6a]F){1|F<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]N[6a]F){1|F<1>,1|H<1>,3|C<3>}	125.8380	0.000	1	125.8380	0.000	1	125.8380	0.000	1	122.0567	2.958	72	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])(H){1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]H){2|H<1>,4|C<3>}	124.0025	0.301	2	124.0025	0.090	2	123.3005	0.376	6	122.0567	2.958	72	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])(H){1|O<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a]N[6a]H){1|H<1>,4|C<3>}	122.9495	0.322	4	122.9495	0.104	4	123.3005	0.376	6	122.0567	2.958	72	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(H){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]H){1|H<1>,3|C<3>}	123.7700	0.000	1	123.7700	0.000	1	123.0195	1.127	2	122.0567	2.958	72	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]O)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(H){2|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]O)(C[6a]N[6a]H){3|C<3>}	122.2690	0.000	1	122.2690	0.000	1	123.0195	1.127	2	122.0567	2.958	72	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(H){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]H)(N[5a]C[5a]H){1|H<1>,3|C<3>}	121.8320	0.000	1	121.7815	0.005	2	121.4993	0.241	3	122.0567	2.958	72	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(H){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]H)(N[5a]C[5a]H){2|C<3>,2|H<1>}	121.7310	0.000	1	121.7815	0.005	2	121.4993	0.241	3	122.0567	2.958	72	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(H){1|S<4>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]H)(N[5a]C[5a]S){2|C<3>,2|H<1>}	120.9350	0.000	1	120.9350	0.000	1	121.4993	0.241	3	122.0567	2.958	72	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]N[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(H){1|C<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]N[6a]H){2|C<3>,2|H<1>}	124.8650	0.000	1	124.8650	0.000	1	124.5482	0.186	5	122.0567	2.958	72	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]N[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(H){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]N[6a]H){1|H<1>,1|S<2>,2|C<3>}	124.8000	0.171	2	124.8000	0.029	2	124.5482	0.186	5	122.0567	2.958	72	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]I)(C[6a]N[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(H){1|I<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]I)(C[6a]N[6a]H){2|C<3>,2|H<1>}	124.4110	0.000	1	124.4110	0.000	1	124.5482	0.186	5	122.0567	2.958	72	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]S)(C[6a]N[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(H){1|S<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]S)(C[6a]N[6a]H){1|O<2>,1|S<2>,2|C<3>}	123.8650	0.000	1	123.8650	0.000	1	124.5482	0.186	5	122.0567	2.958	72	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a,5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,5a,6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)2	C[5a,6a](C[5a,5a,6a]C[5a,6a]N[5a,5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,5a,6a]C[5a,6a])(N[6a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a]C[5a,6a]H)2{3|C<3>}	C[5a,6a](C[5a,5a,6a]C[5a,6a]N[5a,5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,5|C<3>}	122.3197	0.118	3	122.3197	0.014	3	122.3197	0.014	3	122.0567	2.958	72	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6,6a]C)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(N[6a]C[6a])(H){1|C<4>,1|N<3>,3|C<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6,6a]C){1|C<4>,2|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,2|C<4>,3|C<3>}	122.9260	0.000	1	122.9260	0.000	1	122.9260	0.000	1	122.0567	2.958	72	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6,6a]Cl)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]N[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(N[6a]C[6a])(H){1|Cl<1>,1|S<4>,3|C<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6,6a]Cl){1|C<3>,1|C<4>,1|N<3>}	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]N[6a]H)(N[5a]C[5a]S){2|C<3>,2|C<4>}	119.8810	0.000	1	119.8810	0.000	1	119.8810	0.000	1	122.0567	2.958	72	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Br)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(H){1|Br<1>,1|N<3>,3|C<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Br){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]H){1|S<4>,2|H<1>,3|C<3>}	123.1880	0.000	1	123.1880	0.000	1	122.7510	0.706	6	122.0567	2.958	72	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a,6a]C[6a])(C[5a,6a]N[5a,5a]C[6a])(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a,6a]C[6a])(C[5a,6a]N[5a,5a]C[6a])(C[6a]N[6a]H){2|H<1>,4|C<3>}	122.9940	1.680	2	122.9940	2.823	2	122.7510	0.706	6	122.0567	2.958	72	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]H){3|C<3>,3|H<1>}	122.2780	0.000	1	122.2780	0.000	1	122.7510	0.706	6	122.0567	2.958	72	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]H){2|H<1>,3|C<3>}	122.5260	0.272	2	122.5260	0.074	2	122.7510	0.706	6	122.0567	2.958	72	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]H){1|C<3>,1|C<4>,2|H<1>}	122.5780	0.059	2	122.7480	0.088	3	122.0459	1.181	8	122.0567	2.958	72	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]H){2|C<3>,2|H<1>}	123.0880	0.000	1	122.7480	0.088	3	122.0459	1.181	8	122.0567	2.958	72	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]N[6a]H){1|H<1>,2|C<3>}	121.9670	0.000	1	121.9670	0.000	1	122.0459	1.181	8	122.0567	2.958	72	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]N[6a]H){1|H<1>,3|C<3>}	122.7260	0.000	1	122.7260	0.000	1	122.0459	1.181	8	122.0567	2.958	72	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){1|N<3>,2|H<1>,2|N<2>}	N[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H){2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]H){1|C<3>,1|C<4>}	120.4290	0.799	2	120.4290	0.638	2	122.0459	1.181	8	122.0567	2.958	72	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){1|C<3>,2|N<2>,2|N<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]N){2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]N[6a]H){4|C<3>}	122.5720	0.000	1	122.5720	0.000	1	122.0459	1.181	8	122.0567	2.958	72	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H){1|Cl<1>,4|C<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl){1|C<3>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	120.1030	0.000	1	120.1030	0.000	1	119.8815	0.488	4	122.0567	2.958	72	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H){1|C<3>,2|H<1>,2|N<2>}	N[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	118.8450	0.000	1	118.8450	0.000	1	119.8815	0.488	4	122.0567	2.958	72	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]N[6])	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]N[6]){1|C<3>,1|N<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>}	120.2890	0.086	2	120.2890	0.007	2	119.8815	0.488	4	122.0567	2.958	72	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H){1|H<1>,4|C<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C){1|C<3>,1|C<4>,1|N<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]H){1|C<4>,3|C<3>}	121.1007	0.271	3	121.2698	0.110	5	121.2275	0.126	11	122.0567	2.958	72	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H){1|H<1>,4|C<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]H){1|H<1>,3|C<3>}	121.5235	0.282	2	121.2698	0.110	5	121.2275	0.126	11	122.0567	2.958	72	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H){1|H<1>,4|C<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]N[6a]H){1|H<1>,3|C<3>}	120.8210	0.000	1	120.8210	0.000	1	121.2275	0.126	11	122.0567	2.958	72	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H){2|H<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]H){1|H<1>,3|C<3>}	121.2015	0.152	2	121.2015	0.023	2	121.2275	0.126	11	122.0567	2.958	72	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H){1|N<3>,4|C<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N){1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]N[6a]H){4|C<3>}	120.6840	0.000	1	120.6840	0.000	1	121.2275	0.126	11	122.0567	2.958	72	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H){1|H<1>,1|O<2>,3|C<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]H){1|H<1>,3|C<3>}	121.6225	0.097	2	121.6225	0.009	2	121.2275	0.126	11	122.0567	2.958	72	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]N[6a])(H)	N[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]N[6a])(H){2|H<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	120.5890	0.000	1	120.5890	0.000	1	120.5890	0.000	1	122.0567	2.958	72	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:I-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(I)	N[6a](C[6a]C[5a,6a]I)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]I)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(I){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[6a](C[6a]C[5a,6a]I)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]I)(N[5a]C[5a]C){1|C<3>,1|H<1>}	120.4390	0.000	1	120.4390	0.000	1	120.4390	0.000	1	122.0567	2.958	72	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H){1|C<3>,1|C<4>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>}	114.0600	0.000	1	114.0600	0.000	1	114.0600	0.000	1	122.0567	2.958	72	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]Cl){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	117.8350	0.000	1	117.8350	0.000	1	118.8823	1.381	3	119.9367	1.413	21	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NH){1|C<3>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	118.6590	0.000	1	118.6590	0.000	1	118.8823	1.381	3	119.9367	1.413	21	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NN)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NN){1|C<3>,1|N<3>,2|N<2>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	120.1530	0.000	1	120.1530	0.000	1	118.8823	1.381	3	119.9367	1.413	21	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:O-2:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(OC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]O)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(OC){1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	123.1590	0.000	1	123.1590	0.000	1	123.1590	0.000	1	119.9367	1.413	21	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a]){1|Br<1>,1|C<3>,1|C<4>}	119.8840	0.000	1	119.8840	0.000	1	120.7575	1.142	4	119.9367	1.413	21	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,2|H<1>}	120.0580	0.000	1	120.0580	0.000	1	120.7575	1.142	4	119.9367	1.413	21	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC){1|C<3>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	121.5440	0.967	2	121.5440	0.936	2	120.7575	1.142	4	119.9367	1.413	21	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC)	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]H){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>}	119.1960	0.000	1	119.2691	0.083	7	119.6013	0.349	12	119.9367	1.413	21	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC)	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]H){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a]){1|C<3>,2|H<1>}	119.5940	0.225	2	119.2691	0.083	7	119.6013	0.349	12	119.9367	1.413	21	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC)	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]H){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a]){1|H<1>,2|C<3>}	119.1250	0.222	4	119.2691	0.083	7	119.6013	0.349	12	119.9367	1.413	21	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC)	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC){1|C<3>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]N){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	120.4950	0.000	1	120.4950	0.000	1	119.6013	0.349	12	119.9367	1.413	21	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC)	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]S)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC){1|C<3>,1|N<2>,1|N<3>,1|S<2>}	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]S){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	119.3030	0.000	1	119.3030	0.000	1	119.6013	0.349	12	119.9367	1.413	21	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC[6a])	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC[6a]){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]H){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a]){1|C<3>,2|H<1>}	119.5390	0.000	1	119.5390	0.000	1	119.6013	0.349	12	119.9367	1.413	21	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC[6a])	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC[6a]){1|C<3>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]N){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a]){1|C<3>,2|H<1>}	120.4975	0.269	2	120.4975	0.073	2	119.6013	0.349	12	119.9367	1.413	21	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(SC)	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]S)	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(SC){1|N<2>,1|S<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]S){1|N<2>,1|N<3>}	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	120.6180	0.000	1	120.6180	0.000	1	120.6180	0.000	1	119.9367	1.413	21	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC)	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C)(N[5a]C[5a]C){1|C<3>,1|H<1>}	118.1460	0.000	1	118.1460	0.000	1	119.0132	0.627	4	121.1582	3.216	44	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC)	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC){1|C<3>,1|C<4>,1|N<3>,2|N<2>}	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]N){1|C<3>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C)(N[5a]C[5a]C){1|C<3>,1|H<1>}	118.9585	0.411	2	118.9585	0.169	2	119.0132	0.627	4	121.1582	3.216	44	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CN)	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CN){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C)(N[5a]C[5a]C){1|C<3>,1|H<1>}	119.9900	0.000	1	119.9900	0.000	1	119.0132	0.627	4	121.1582	3.216	44	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:O-2:	C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[5a,6a])(OC)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]O)	C[5a,6a](N[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[5a,6a])(OC){1|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]O){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<3>,1|S<2>,2|H<1>}	125.3890	0.000	1	125.3890	0.000	1	125.3890	0.000	1	121.1582	3.216	44	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]O)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(OC){1|C<4>,1|N<2>,1|S<2>,2|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]O){4|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O){1|C<3>,2|C<4>,2|H<1>}	123.0070	0.000	1	123.0070	0.000	1	124.2952	0.642	5	121.1582	3.216	44	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(OS)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(OS){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H){2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O){1|C<3>,2|C<4>,2|H<1>}	124.2950	0.000	1	124.2950	0.000	1	124.2952	0.642	5	121.1582	3.216	44	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(OS)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(OS){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|S<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6]){2|C<3>,2|C<4>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O){1|C<3>,2|C<4>,2|H<1>}	125.1350	0.000	1	125.1350	0.000	1	124.2952	0.642	5	121.1582	3.216	44	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(OS)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(OS){1|C<3>,1|C<4>,1|N<2>,2|S<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S){2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O){1|C<3>,2|C<4>,2|H<1>}	124.5195	0.322	2	124.5195	0.104	2	124.2952	0.642	5	121.1582	3.216	44	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H){2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|N<3>}	121.9800	0.000	1	121.9800	0.000	1	121.3070	0.426	11	121.1582	3.216	44	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC){1|N<3>,2|H<1>,2|N<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H){2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>}	121.8697	0.611	3	121.8697	0.373	3	121.3070	0.426	11	121.1582	3.216	44	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N){2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	121.7480	0.000	1	121.7480	0.000	1	121.3070	0.426	11	121.1582	3.216	44	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC){1|H<1>,2|N<2>,2|N<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N){2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){2|C<3>}	121.1790	0.000	1	121.1790	0.000	1	121.3070	0.426	11	121.1582	3.216	44	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC){1|H<1>,1|N<3>,1|S<2>,2|N<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S){2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>}	120.8927	0.426	3	120.7722	0.118	5	121.3070	0.426	11	121.1582	3.216	44	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC){1|H<1>,1|N<3>,1|S<4>,2|N<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S){2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>}	120.5915	0.050	2	120.7722	0.118	5	121.3070	0.426	11	121.1582	3.216	44	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|H<1>}	119.2870	0.000	1	119.2870	0.000	1	119.2190	0.009	2	121.1582	3.216	44	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]I)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|I<1>,2|N<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]I){1|C<3>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|H<1>}	119.1510	0.000	1	119.1510	0.000	1	119.2190	0.009	2	121.1582	3.216	44	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a])(OC)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a])(OC){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]N[6a]O){1|H<1>,3|C<3>}	125.0760	0.000	1	125.0760	0.000	1	124.1335	1.777	2	121.1582	3.216	44	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a])(OC)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a])(OC){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H){1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<4>,2|C<3>}	123.1910	0.000	1	123.1910	0.000	1	124.1335	1.777	2	121.1582	3.216	44	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(SC)	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]S)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(SC){1|N<3>,2|H<1>,2|N<2>}	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]H){2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]S){1|C<3>,1|C<4>}	119.9000	0.000	1	119.9860	0.015	2	120.3663	0.272	19	121.1582	3.216	44	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(SC)	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]S)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(SC){1|N<3>,2|H<1>,2|N<2>}	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]H){2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	120.0720	0.000	1	119.9860	0.015	2	120.3663	0.272	19	121.1582	3.216	44	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(SC)	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]S)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(SC){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]N){2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]S){1|C<3>,1|C<4>,1|H<1>}	121.9140	0.000	1	121.9140	0.000	1	120.3663	0.272	19	121.1582	3.216	44	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(SC)	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]S)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]S)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(SC){1|H<1>,1|N<3>,1|S<2>,2|N<2>}	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]S){2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]S){1|C<3>,1|C<4>}	120.3171	0.380	16	120.3171	0.144	16	120.3663	0.272	19	121.1582	3.216	44	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:2:	3:3:3:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(N[6a]N[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a])(NHH){1|H<1>,1|N<3>,2|N<2>}	N[6a](C[6a]C[5a,6a]N)(N[6a]N[6a]){2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N){1|C<4>,1|N<2>}	118.2275	0.308	2	118.2275	0.095	2	118.2275	0.095	2	118.2275	0.095	2	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:2:3:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]N[6a])(N[5a]C[5a,6])(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a,6]N[6a])(N[5a]C[5a,6])(C[6a]N[6a]N){1|C<4>,2|C<3>}	117.7700	0.042	2	117.7700	0.002	2	117.7700	0.002	2	117.7700	0.002	2	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:C-3:	C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a,6a])(CCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]C)(N[5a]N[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a,6a])(CCH){1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]C)(N[5a]N[5a]){1|C<4>,2|C<3>}	120.9150	0.000	1	120.9150	0.000	1	120.9150	0.000	1	118.0211	1.597	181	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]N[6a])(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a]){1|F<1>,1|N<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]N[6a])(N[5a]N[5a]){1|H<1>,4|C<3>}	118.7030	0.000	1	118.7030	0.000	1	118.9010	0.078	2	118.0211	1.597	181	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|O<2>,2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){5|C<3>}	119.0990	0.000	1	119.0990	0.000	1	118.9010	0.078	2	118.0211	1.597	181	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|N<3>,5|C<3>}	120.9900	0.000	1	120.9900	0.000	1	120.9900	0.000	1	118.0211	1.597	181	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NCC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]N)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NCC){1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]N){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	119.8640	0.000	1	119.8640	0.000	1	120.6516	0.312	5	118.0211	1.597	181	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NC[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]N)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NC[6a]H){1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]N){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	120.3560	0.000	1	120.3560	0.000	1	120.6516	0.312	5	118.0211	1.597	181	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]N)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NHH){1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]N){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	120.7060	0.000	1	120.7060	0.000	1	120.6516	0.312	5	118.0211	1.597	181	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NHN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]N)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NHN){1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]N){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	121.1660	0.092	2	121.1660	0.008	2	120.6516	0.312	5	118.0211	1.597	181	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]Cl){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	117.1435	0.289	2	117.1435	0.084	2	117.8538	1.259	167	118.0211	1.597	181	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|C<4>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	118.0610	0.000	1	119.2350	1.993	4	117.8538	1.259	167	118.0211	1.597	181	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	120.5480	0.000	1	119.2350	1.993	4	117.8538	1.259	167	118.0211	1.597	181	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,2|H<1>}	117.9680	0.000	1	119.2350	1.993	4	117.8538	1.259	167	118.0211	1.597	181	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|H<1>,2|C<3>}	120.3630	0.000	1	119.2350	1.993	4	117.8538	1.259	167	118.0211	1.597	181	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC){1|C<3>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	117.4400	0.000	1	117.5085	0.009	2	117.8538	1.259	167	118.0211	1.597	181	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC){1|C<3>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<4>,2|C<3>}	117.5770	0.000	1	117.5085	0.009	2	117.8538	1.259	167	118.0211	1.597	181	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	N[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|Cl<1>,1|N<3>,2|C<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]Cl){1|C<3>,1|H<1>,1|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	120.4600	0.000	1	120.4600	0.000	1	117.8538	1.259	167	118.0211	1.597	181	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]Cl){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	118.1699	0.338	7	118.1699	0.114	7	117.8538	1.259	167	118.0211	1.597	181	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,2|H<1>}	117.7510	0.000	1	117.9556	0.264	17	117.8538	1.259	167	118.0211	1.597	181	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	118.0763	0.616	8	117.9556	0.264	17	117.8538	1.259	167	118.0211	1.597	181	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,2|H<1>}	117.8605	0.438	8	117.9556	0.264	17	117.8538	1.259	167	118.0211	1.597	181	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	118.8600	0.000	1	118.8600	0.000	1	117.8538	1.259	167	118.0211	1.597	181	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC[3]H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC[3]H){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]Cl){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	118.1680	0.134	2	118.1680	0.018	2	117.8538	1.259	167	118.0211	1.597	181	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC[3]H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC[3]H){1|C<3>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	118.4830	0.074	2	118.4830	0.005	2	117.8538	1.259	167	118.0211	1.597	181	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC[6a]2)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC[6a]2){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){3|C<3>}	118.3930	0.000	1	118.3930	0.000	1	117.8538	1.259	167	118.0211	1.597	181	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC[6a]H){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]Cl){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	118.1685	0.040	2	118.1685	0.002	2	117.8538	1.259	167	118.0211	1.597	181	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC[6a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	118.5365	0.018	2	118.5365	0.000	2	117.8538	1.259	167	118.0211	1.597	181	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|H<1>,1|N<3>,2|C<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	120.6150	0.000	1	120.6150	0.000	1	117.8538	1.259	167	118.0211	1.597	181	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]C)	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|N<2>,1|O<2>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]C){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>}	116.9480	0.000	1	116.9480	0.000	1	117.8538	1.259	167	118.0211	1.597	181	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]D)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|D<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]D){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|D<1>}	117.3990	0.000	1	117.3990	0.000	1	117.8538	1.259	167	118.0211	1.597	181	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]N)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]N)(N[5a]S[5a]){1|C<3>,1|C<4>}	118.5530	0.000	1	118.5530	0.000	1	117.8538	1.259	167	118.0211	1.597	181	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|C<4>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	117.0875	0.400	2	117.3924	0.950	98	117.8538	1.259	167	118.0211	1.597	181	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	117.3071	0.921	56	117.3924	0.950	98	117.8538	1.259	167	118.0211	1.597	181	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>}	117.5430	0.377	3	117.3924	0.950	98	117.8538	1.259	167	118.0211	1.597	181	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,2|H<1>}	117.3515	0.491	11	117.3924	0.950	98	117.8538	1.259	167	118.0211	1.597	181	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<4>,2|C<3>}	117.5101	1.400	21	117.3924	0.950	98	117.8538	1.259	167	118.0211	1.597	181	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|Co<6>,1|C<3>,1|H<1>}	118.2210	0.204	2	117.3924	0.950	98	117.8538	1.259	167	118.0211	1.597	181	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|H<1>,2|C<3>}	117.2300	0.000	1	117.3924	0.950	98	117.8538	1.259	167	118.0211	1.597	181	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|Pt<4>,1|C<3>,1|C<4>}	118.2150	0.000	1	117.3924	0.950	98	117.8538	1.259	167	118.0211	1.597	181	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){3|C<3>}	117.9940	0.000	1	117.3924	0.950	98	117.8538	1.259	167	118.0211	1.597	181	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<2>,1|C<3>,1|C<4>}	118.9040	0.000	1	118.6229	0.178	14	117.8538	1.259	167	118.0211	1.597	181	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	118.3367	0.341	3	118.6229	0.178	14	117.8538	1.259	167	118.0211	1.597	181	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,2|H<1>}	118.6406	0.482	8	118.6229	0.178	14	117.8538	1.259	167	118.0211	1.597	181	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<4>,2|C<3>}	118.8405	0.168	2	118.6229	0.178	14	117.8538	1.259	167	118.0211	1.597	181	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]N)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|O<1>,1|S<2>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|N<2>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]N)(N[5a]S[5a]){1|C<3>,1|C<4>,1|H<1>}	119.4920	0.000	1	119.8270	0.073	5	117.8538	1.259	167	118.0211	1.597	181	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]N)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|O<1>,1|S<2>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O){1|C<3>,1|H<1>,1|N<2>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]N)(N[5a]S[5a]){1|C<3>,1|C<4>,1|H<1>}	119.9108	0.226	4	119.8270	0.073	5	117.8538	1.259	167	118.0211	1.597	181	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	117.7880	0.000	1	117.7880	0.000	1	117.8538	1.259	167	118.0211	1.597	181	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHS)	N[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHS){1|Cl<1>,1|N<3>,2|C<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]Cl){1|C<3>,1|H<1>,1|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	121.4280	0.136	2	121.4280	0.018	2	117.8538	1.259	167	118.0211	1.597	181	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a])(NCH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]N)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a])(NCH){1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|S<2>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]N)(S[5a]C[5a]){1|C<3>,2|H<1>}	118.5910	0.000	1	118.5910	0.000	1	119.8575	3.208	2	118.0211	1.597	181	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a])(NC[6a]2)	N[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]N)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a])(NC[6a]2){4|C<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]2){1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]N)(S[5a]C[5a]){2|C<3>,2|H<1>}	121.1240	0.000	1	121.1240	0.000	1	119.8575	3.208	2	118.0211	1.597	181	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[5a,6a]N[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]N[5])(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(N[5]C[5]2){1|H<1>,1|N<3>,2|C<3>,2|C<4>,2|O<1>}	N[6a](C[6a]C[5a,6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]N[5])(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	120.6530	0.000	1	120.6530	0.000	1	120.6530	0.000	1	118.0211	1.597	181	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(N[6]C[6]2)	N[6a](C[6a]C[5a,6a]N[6])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N[6])(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(N[6]C[6]2){1|N<2>,1|O<1>,2|C<4>,2|N<3>,4|H<1>}	N[6a](C[6a]C[5a,6a]N[6])(C[6a]N[6a]O){1|N<2>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N[6])(N[5a]N[5a]){2|C<4>,3|C<3>}	117.4950	0.000	1	117.4950	0.000	1	117.4950	0.000	1	118.0211	1.597	181	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(N[6]C[6]2)	N[6a](C[6a]C[5a,6a]N[6])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]N[6])(N[5a]N[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(N[6]C[6]2){1|N<2>,2|C<3>,2|C<4>,5|H<1>}	N[6a](C[6a]C[5a,6a]N[6])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<4>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]N[6])(N[5a]N[5a]){1|C<3>,2|C<4>,2|H<1>}	119.4120	0.000	1	119.4120	0.000	1	119.4120	0.000	1	118.0211	1.597	181	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:C-3:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(CC[5a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(CC[5a]O){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]C)(N[5a]C[5a]H){2|C<3>,2|H<1>}	120.5230	0.000	1	120.5230	0.000	1	120.5230	0.000	1	119.7647	3.192	92	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:C-3:	C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(CC[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(C[6a]N[6a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(CC[6a]O){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(C[6a]N[6a]C){4|C<3>}	123.9800	0.000	1	123.9800	0.000	1	123.9800	0.000	1	119.7647	3.192	92	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CCO)	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CCO){1|H<1>,4|C<3>}	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]C){1|H<1>,3|C<3>}	120.8560	0.000	1	120.8560	0.000	1	120.9314	0.025	7	119.7647	3.192	92	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC[6a]O)	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC[6a]O){2|H<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]C){1|H<1>,3|C<3>}	120.9073	0.194	4	120.9073	0.037	4	120.9314	0.025	7	119.7647	3.192	92	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CNO)	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CNO){2|H<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]C){1|H<1>,3|C<3>}	121.0175	0.110	2	121.0175	0.012	2	120.9314	0.025	7	119.7647	3.192	92	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(N[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|N<2>,3|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(N[5a]N[5a]H){1|O<2>,4|C<3>}	119.7235	1.012	2	119.7235	1.024	2	119.7235	1.024	2	119.7647	3.192	92	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a]){2|H<1>,6|C<3>}	124.1940	0.000	1	124.1940	0.000	1	122.4215	6.284	2	119.7647	3.192	92	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,6|C<3>}	120.6490	0.000	1	120.6490	0.000	1	122.4215	6.284	2	119.7647	3.192	92	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])	C[5a,6a](N[5a,6a]C[6a,6a]C[5a,6])(C[6a]C[6a]N[6a])(C[5a]C[5a,6]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a,6])(C[6a]C[6a]N[6a])(C[5a]C[5a,6]H){1|C<4>,1|N<3>,4|C<3>}	122.9170	0.375	2	122.9170	0.140	2	122.7339	0.328	12	119.7647	3.192	92	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,4|C<3>}	123.5240	0.000	1	123.5240	0.000	1	122.7339	0.328	12	119.7647	3.192	92	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|Cl<1>,2|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){2|H<1>,4|C<3>}	124.0000	0.000	1	122.5943	0.426	7	122.7339	0.328	12	119.7647	3.192	92	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,4|C<3>}	122.3670	0.000	1	122.5943	0.426	7	122.7339	0.328	12	119.7647	3.192	92	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	122.7280	0.000	1	122.5943	0.426	7	122.7339	0.328	12	119.7647	3.192	92	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){2|H<1>,4|C<3>}	122.2662	0.161	4	122.5943	0.426	7	122.7339	0.328	12	119.7647	3.192	92	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5a,6a]C[6a])	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|N<2>,3|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5a,6a]C[6a]){1|N<3>,5|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){2|H<1>,4|C<3>}	122.6445	0.268	2	122.6445	0.072	2	122.7339	0.328	12	119.7647	3.192	92	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(NC[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]N)	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[5a]O[5a]O)(C[6a]N[6a]N)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(NC[6a]H){1|N<2>,1|O<1>,1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]N){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[5a]O[5a]O)(C[6a]N[6a]N){2|C<3>}	121.7710	0.000	1	121.7710	0.000	1	121.7710	0.000	1	119.7647	3.192	92	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(NC[6]C)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(NC[6]C){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N){2|H<1>,3|C<3>}	119.4130	0.000	1	119.4130	0.000	1	119.1270	0.164	2	119.7647	3.192	92	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]O[5a])(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(NC[6a]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]O[5a])(C[6a]N[6a]N){1|H<1>,3|C<3>}	118.8410	0.000	1	118.8410	0.000	1	119.1270	0.164	2	119.7647	3.192	92	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NCC)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]C)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NCC){1|C<3>,1|N<2>,1|N<3>,2|C<4>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]C){2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]N){1|C<4>,2|C<3>}	119.8750	0.000	1	119.8750	0.000	1	119.0956	0.448	37	119.7647	3.192	92	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NCC)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]Cl)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NCC){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]Cl)(C[6a]N[6a]N){1|C<3>,2|H<1>}	119.1960	0.000	1	119.1960	0.000	1	119.0956	0.448	37	119.7647	3.192	92	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NC[4]C)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NC[4]C){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N){1|C<3>,2|H<1>}	119.4620	0.000	1	119.4620	0.000	1	119.0956	0.448	37	119.7647	3.192	92	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NC[6]C)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NC[6]C){1|H<1>,2|N<2>,2|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N){2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	119.2660	0.000	1	119.2660	0.000	1	119.0956	0.448	37	119.7647	3.192	92	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NC[6a]C){1|H<1>,2|N<2>,2|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N){2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	119.5220	0.101	4	119.5220	0.010	4	119.0956	0.448	37	119.7647	3.192	92	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NC[6a]H){1|H<1>,2|N<2>,2|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N){2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	119.0400	0.000	1	119.0400	0.000	1	119.0956	0.448	37	119.7647	3.192	92	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]F)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<3>,1|F<1>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]F){2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	119.5370	0.000	1	119.5370	0.000	1	119.0956	0.448	37	119.7647	3.192	92	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]H)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){2|C<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>}	119.0870	0.000	1	119.0870	0.000	1	119.0956	0.448	37	119.7647	3.192	92	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<2>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<4>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	118.7950	0.000	1	118.9965	0.081	2	119.0956	0.448	37	119.7647	3.192	92	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<2>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	119.1980	0.000	1	118.9965	0.081	2	119.0956	0.448	37	119.7647	3.192	92	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[3])(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[3])(C[6a]N[6a]N){1|C<3>,2|H<1>,3|C<4>}	119.3690	0.000	1	119.3690	0.000	1	119.0956	0.448	37	119.7647	3.192	92	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]Cl)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]Cl)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	118.6760	0.000	1	118.6760	0.000	1	119.0956	0.448	37	119.7647	3.192	92	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]F)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<3>,1|F<1>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]F)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	119.0337	0.410	3	119.0337	0.168	3	119.0956	0.448	37	119.7647	3.192	92	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	118.5570	0.000	1	118.5570	0.000	1	119.0956	0.448	37	119.7647	3.192	92	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]I)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|I<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]I)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	118.7190	0.772	3	118.7190	0.595	3	119.0956	0.448	37	119.7647	3.192	92	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]Br)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|Br<1>,1|H<1>,1|N<3>,2|N<2>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]Br)(C[6a]N[6a]N){1|C<3>,1|C<4>}	117.4300	0.000	1	117.4300	0.000	1	119.0956	0.448	37	119.7647	3.192	92	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<2>,1|H<1>,1|N<3>,2|N<2>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]N[6a]N){1|C<3>,1|C<4>}	118.4240	0.000	1	119.0140	0.696	2	119.0956	0.448	37	119.7647	3.192	92	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]N[6a]N){1|C<3>,1|C<4>}	119.6040	0.000	1	119.0140	0.696	2	119.0956	0.448	37	119.7647	3.192	92	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|N<3>,2|H<1>,2|N<2>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>}	118.7060	0.644	5	118.7060	0.414	5	119.0956	0.448	37	119.7647	3.192	92	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]I)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|H<1>,1|I<1>,1|N<3>,2|N<2>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]I)(C[6a]N[6a]N){1|C<3>,1|C<4>}	117.8910	0.000	1	117.8910	0.000	1	119.0956	0.448	37	119.7647	3.192	92	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]Cl)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|Cl<1>,1|C<3>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N){2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]Cl)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	120.4850	0.000	1	120.4850	0.000	1	119.0956	0.448	37	119.7647	3.192	92	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]Br)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|Br<1>,2|N<2>,2|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N){2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]Br)(C[6a]N[6a]N){1|C<3>,1|C<4>}	119.1320	0.000	1	119.1320	0.000	1	119.0956	0.448	37	119.7647	3.192	92	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]H)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<2>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O){1|C<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	120.5050	0.000	1	120.5050	0.000	1	119.0956	0.448	37	119.7647	3.192	92	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]S)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|H<1>,1|N<3>,1|S<2>,2|N<2>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]S){2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>}	118.9390	0.000	1	118.9390	0.000	1	119.0956	0.448	37	119.7647	3.192	92	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHN)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHN){1|N<3>,2|H<1>,2|N<2>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>}	119.5970	0.047	2	119.5970	0.002	2	119.0956	0.448	37	119.7647	3.192	92	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,2|H<1>,2|N<2>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]H){1|C<3>,1|H<1>}	117.9016	0.900	7	117.9016	0.810	7	117.6158	0.769	10	119.7647	3.192	92	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]C){1|C<3>,1|H<1>}	117.0400	0.000	1	117.0400	0.000	1	117.6158	0.769	10	119.7647	3.192	92	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,2|H<1>,2|N<2>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]H){1|C<3>,1|H<1>}	116.9035	0.375	2	116.9035	0.141	2	117.6158	0.769	10	119.7647	3.192	92	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[6a]N[5a])(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|H<1>,2|C<3>,2|N<2>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[6a]N[5a])(C[6a]N[6a]N){1|C<2>,3|C<3>}	116.9690	0.000	1	116.9690	0.000	1	117.2897	1.434	3	119.7647	3.192	92	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]N[5a]C[5])(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<4>,1|H<1>,3|N<2>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]N[5a]C[5])(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	116.2850	0.000	1	116.2850	0.000	1	117.2897	1.434	3	119.7647	3.192	92	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]C[5a]Rh)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|Rh<5>,1|C<3>,1|N<3>,2|N<2>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N){1|C<3>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]C[5a]Rh)(C[6a]N[6a]N){1|C<3>,1|H<1>}	118.6150	0.000	1	118.6150	0.000	1	117.2897	1.434	3	119.7647	3.192	92	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	119.9310	0.000	1	119.9310	0.000	1	119.9310	0.000	1	119.7647	3.192	92	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[5a,6a]N[5])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]N[6a]N[5])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(N[5]C[5]2){1|N<2>,1|N<3>,2|C<3>,2|C<4>,5|H<1>}	N[6a](C[6a]C[5a,6a]N[5])(C[6a]N[6a]H){2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]N[6a]N[5]){1|H<1>,2|C<4>,4|C<3>}	119.1710	0.079	2	119.1710	0.006	2	119.1710	0.006	2	119.7647	3.192	92	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[5a,6a]N[5])(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N[5])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(N[5]C[5]2){2|C<4>,2|N<2>,2|N<3>,5|H<1>}	N[6a](C[6a]C[5a,6a]N[5])(C[6a]N[6a]N){2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N[5])(C[5a]N[5a]H){1|C<3>,1|H<1>,2|C<4>}	119.2725	0.138	2	119.2725	0.019	2	119.0465	0.088	8	119.7647	3.192	92	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[5a,6a]N[5])(C[6a]N[6a]S)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N[5])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(N[5]C[5]2){1|N<3>,1|S<2>,2|C<4>,2|N<2>,5|H<1>}	N[6a](C[6a]C[5a,6a]N[5])(C[6a]N[6a]S){2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N[5])(C[5a]N[5a]H){1|C<3>,3|C<4>}	118.9712	0.304	6	118.9712	0.093	6	119.0465	0.088	8	119.7647	3.192	92	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:N[6]-3:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])(N[6]C[6]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]N[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]N[6])	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])(N[6]C[6]2){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]N[6]){1|H<1>,2|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]N[6]){2|C<4>,2|H<1>,4|C<3>}	123.1380	0.000	1	123.1380	0.000	1	123.1380	0.000	1	119.7647	3.192	92	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(N[6]C[6]2)	N[6a](C[6a]C[5a,6a]N[6])(C[6a]N[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]N[6])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(N[6]C[6]2){1|C<3>,1|N<2>,1|S<2>,3|C<4>,5|H<1>}	N[6a](C[6a]C[5a,6a]N[6])(C[6a]N[6a]H){2|C<3>,2|C<4>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]N[6]){1|C<3>,2|H<1>,4|C<4>}	120.9295	0.146	2	120.9295	0.021	2	120.9295	0.021	2	119.7647	3.192	92	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:4:	3:3:	3:2:3:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CH3)	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]N[6a])(N[5a]C[5a,6])(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]H){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a,6]N[6a])(N[5a]C[5a,6])(C[6a]N[6a]C){1|C<4>,2|C<3>}	117.9065	0.308	2	117.9065	0.095	2	118.1353	0.204	3	117.8890	0.379	4	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:4:	3:3:	3:2:3:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CH3)	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]H){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]N[6a]C){3|C<3>}	118.5930	0.000	1	118.5930	0.000	1	118.1353	0.204	3	117.8890	0.379	4	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:4:	3:3:	3:2:3:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a,6a])(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a])(CH3){1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]C){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a,6a])(C[6a]N[6a]C){3|C<3>}	117.1500	0.000	1	117.1500	0.000	1	117.1500	0.000	1	117.8890	0.379	4	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:4:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CH3)	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]H){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C)(N[5a]C[5a]){3|C<3>}	118.3060	0.000	1	118.3060	0.000	1	118.3060	0.000	1	119.6759	0.806	11	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:4:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(CCCH)	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]C)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(CCCH){1|H<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	120.9410	0.229	2	120.9410	0.052	2	120.7433	0.143	3	119.6759	0.806	11	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:4:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(CH3)	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]C)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(CH3){1|H<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]C)(N[5a]C[5a]){2|C<3>,2|H<1>}	120.3480	0.000	1	120.3480	0.000	1	120.7433	0.143	3	119.6759	0.806	11	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:4:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]N[6a])(CH3)	N[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]C)(O[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]N[6a])(CH3){1|N<2>,3|C<3>}	N[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]2){1|O<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]C)(O[5a]N[5a]){1|C<4>,1|N<3>,1|O<1>}	118.7740	0.000	1	118.7740	0.000	1	118.7740	0.000	1	119.6759	0.806	11	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:4:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]N[6a])(CH3)	N[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]C)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]N[6a])(CH3){1|N<2>,3|C<3>}	N[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]2){1|O<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]C)(S[5a]C[5a]){1|C<4>,1|N<3>,1|O<1>}	120.3420	0.000	1	120.3420	0.000	1	119.7690	0.657	2	119.6759	0.806	11	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:4:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]N[6a])(CH3)	N[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]C)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]N[6a])(CH3){1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]H){1|C<3>,1|O<1>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]C)(S[5a]C[5a]){1|C<4>,1|N<3>,1|O<1>}	119.1960	0.000	1	119.1960	0.000	1	119.7690	0.657	2	119.6759	0.806	11	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:4:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:C[3]-4:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(C[3]C[3]2H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[3])	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]N[6a]C[3])(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(C[3]C[3]2H){1|O<2>,3|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[3]){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]N[6a]C[3])(N[5a]C[5a]){1|H<1>,2|C<3>,3|C<4>}	119.9720	0.000	1	119.9720	0.000	1	119.9720	0.000	1	119.6759	0.806	11	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:4:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:P-4:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(PO3)	N[6a](C[6a]C[5a,6a]P)(C[6a]N[6a]Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]P)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(PO3){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]P)(C[6a]N[6a]Cl){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]P)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	119.5000	0.000	1	119.5000	0.000	1	119.2050	0.118	3	119.6759	0.806	11	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:4:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:P-4:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(PO3)	N[6a](C[6a]C[5a,6a]P)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]P)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(PO3){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]P)(C[6a]N[6a]H){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]P)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	119.0575	0.326	2	119.0575	0.106	2	119.2050	0.118	3	119.6759	0.806	11	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[5a,6a])(CH3)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[5a,6a])(CH3){2|N<3>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]C){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C){1|C<4>,1|H<1>,4|C<3>}	122.2570	0.000	1	122.2570	0.000	1	122.2570	0.000	1	120.6769	2.472	29	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(N[6a]C[6a,6a])(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a,6a]S[5a])(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(N[6a]C[6a,6a])(CH3){2|S<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C){1|H<1>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a,6a]S[5a])(C[6a]N[6a]C){4|C<3>}	121.9940	0.000	1	121.9940	0.000	1	121.9940	0.000	1	120.6769	2.472	29	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(CC3)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(CC3){1|H<1>,1|S<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[5a,6a]C){1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]N[6a]C){1|Br<1>,2|C<3>}	121.5155	0.104	2	121.5155	0.011	2	122.3550	1.601	4	120.6769	2.472	29	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(CCCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(CCCH){1|H<1>,1|S<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]N[6a]C){1|H<1>,2|C<3>}	122.2010	0.000	1	122.2010	0.000	1	122.3550	1.601	4	120.6769	2.472	29	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(CF3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(CF3){1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]N[6a]C){1|H<1>,5|C<3>}	124.1880	0.000	1	124.1880	0.000	1	122.3550	1.601	4	120.6769	2.472	29	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(CCHH){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]C)(N[5a]C[5a]H){2|C<3>,2|H<1>}	119.9330	0.000	1	119.9330	0.000	1	120.1436	0.056	7	120.6769	2.472	29	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(CC[6a]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(CC[6a]HH){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]C)(N[5a]C[5a]H){2|C<3>,2|H<1>}	120.2477	0.273	4	120.2477	0.074	4	120.1436	0.056	7	120.6769	2.472	29	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(CH3){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]C)(N[5a]C[5a]H){2|C<3>,2|H<1>}	120.0405	0.054	2	120.0405	0.003	2	120.1436	0.056	7	120.6769	2.472	29	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]N[6a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(CCHH){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]N[6a]C){2|C<3>,2|H<1>}	122.6740	0.000	1	122.6740	0.000	1	123.0530	0.287	2	120.6769	2.472	29	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]N[6a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(CH3){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]N[6a]C){2|C<3>,2|H<1>}	123.4320	0.000	1	123.4320	0.000	1	123.0530	0.287	2	120.6769	2.472	29	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(CC[6a]HH)	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(CC[6a]HH){1|C<4>,1|N<3>,3|C<3>}	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]C){1|C<4>,2|H<1>,3|C<3>}	121.7710	0.000	1	121.7710	0.000	1	121.2857	0.177	3	120.6769	2.472	29	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(CH3){1|N<3>,4|C<3>}	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]2){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]C){1|C<4>,2|H<1>,3|C<3>}	121.0680	0.000	1	121.0430	0.001	2	121.2857	0.177	3	120.6769	2.472	29	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(CH3){1|N<3>,4|C<3>}	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]2){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]C){1|H<1>,2|C<4>,3|C<3>}	121.0180	0.000	1	121.0430	0.001	2	121.2857	0.177	3	120.6769	2.472	29	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(CCCH)	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(CCCH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]H){2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]C){1|C<3>,2|H<1>}	119.5610	0.000	1	119.5610	0.000	1	119.9720	0.338	2	120.6769	2.472	29	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(CC[6a]HO)	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]H)(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(CC[6a]HO){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]H){2|C<3>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]H)(C[6a]N[6a]C){2|C<3>}	120.3830	0.000	1	120.3830	0.000	1	119.9720	0.338	2	120.6769	2.472	29	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CCCH)	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]C)(N[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CCCH){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]C)(N[5a]N[5a]H){1|C<3>,2|H<1>}	118.7610	0.000	1	118.7610	0.000	1	119.3787	5.054	3	120.6769	2.472	29	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC[6a]CN)	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC[6a]CN){1|C<3>,2|H<1>,2|N<2>}	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C)(N[5a]C[5a]H){1|C<3>,1|H<1>}	117.5040	0.000	1	117.5040	0.000	1	119.3787	5.054	3	120.6769	2.472	29	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CF3)	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]C)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CF3){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]C){1|C<3>,1|N<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]C)(N[5a]C[5a]H){1|C<3>,2|H<1>}	121.8710	0.000	1	121.8710	0.000	1	119.3787	5.054	3	120.6769	2.472	29	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CCHH){2|H<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]C){1|H<1>,3|C<3>}	117.0140	0.000	1	117.0140	0.000	1	119.3366	1.967	5	120.6769	2.472	29	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC[5a]HN)	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC[5a]HN){1|H<1>,4|C<3>}	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]C){1|H<1>,3|C<3>}	120.7250	0.000	1	120.7250	0.000	1	119.3366	1.967	5	120.6769	2.472	29	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC[6]HH)	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC[6]HH){1|H<1>,4|C<3>}	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]C){1|H<1>,3|C<3>}	119.7220	0.000	1	119.7220	0.000	1	119.3366	1.967	5	120.6769	2.472	29	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CH3)	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CH3){2|H<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]C){1|H<1>,3|C<3>}	119.6110	0.498	2	119.6110	0.248	2	119.3366	1.967	5	120.6769	2.472	29	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a])(CH3)	N[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]O[5a]C)(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a])(CH3){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]2){1|O<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]O[5a]C)(C[6a]N[6a]C){1|N<3>,1|O<1>}	120.2280	0.000	1	120.2280	0.000	1	120.2280	0.000	1	120.6769	2.472	29	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]O[5a])(N[6a]N[6a])	N[6a](C[6a]C[5a,6a]C[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]N[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]O[5a])(N[6a]N[6a]){1|H<1>,6|C<3>}	N[6a](C[6a]C[5a,6a]C[5a])(N[6a]C[6a]){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]N[6a]){1|H<1>,1|N<2>,1|O<2>,5|C<3>}	120.6420	0.513	4	120.6420	0.263	4	120.6420	0.263	4	120.6420	0.263	4	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]O[5a])(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]N[6a]Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]N[6a])(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]O[5a])(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]N[6a]Cl){1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	118.9157	0.220	3	118.9157	0.048	3	118.6321	0.143	7	118.7021	1.497	41	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]O[5a])(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]N[6a])(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]O[5a])(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]N[6a]H){1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	118.6710	0.000	1	118.6710	0.000	1	118.6321	0.143	7	118.7021	1.497	41	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]N[6a])(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(N[6a]C[6a]){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]C[6a]H){1|Br<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]N[6a])(N[5a]S[5a]){1|Br<1>,1|S<2>,2|C<3>}	118.3730	0.000	1	118.3730	0.000	1	118.6321	0.143	7	118.7021	1.497	41	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]N[6a])(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]N[6a]H){1|N<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	118.3170	0.501	2	118.3170	0.251	2	118.6321	0.143	7	118.7021	1.497	41	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6a])(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|S<2>,3|C<3>,3|H<1>}	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6a])(N[5a]S[5a]){4|C<3>}	116.5600	0.000	1	116.5600	0.000	1	117.8595	0.384	21	118.7021	1.497	41	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a]){1|N<2>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<4>,4|C<3>}	118.1130	0.000	1	118.1130	0.000	1	117.8595	0.384	21	118.7021	1.497	41	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|Cl<1>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]Cl){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	117.4950	0.000	1	117.4950	0.000	1	117.8595	0.384	21	118.7021	1.497	41	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|C<2>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	118.4493	0.103	3	117.9379	0.334	18	117.8595	0.384	21	118.7021	1.497	41	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|C<2>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	118.5930	0.000	1	117.9379	0.334	18	117.8595	0.384	21	118.7021	1.497	41	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	118.3900	0.000	1	117.9379	0.334	18	117.8595	0.384	21	118.7021	1.497	41	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<4>,3|C<3>}	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	118.6190	0.000	1	117.9379	0.334	18	117.8595	0.384	21	118.7021	1.497	41	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>,3|N<3>}	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	117.6540	0.000	1	117.9379	0.334	18	117.8595	0.384	21	118.7021	1.497	41	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|I<1>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	118.2000	0.000	1	117.9379	0.334	18	117.8595	0.384	21	118.7021	1.497	41	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	117.7050	0.000	1	117.9379	0.334	18	117.8595	0.384	21	118.7021	1.497	41	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	117.8964	0.201	5	117.9379	0.334	18	117.8595	0.384	21	118.7021	1.497	41	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<4>,4|C<3>}	117.5630	0.007	2	117.9379	0.334	18	117.8595	0.384	21	118.7021	1.497	41	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|H<1>,4|C<3>}	117.5520	0.000	1	117.9379	0.334	18	117.8595	0.384	21	118.7021	1.497	41	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,2|H<1>,2|N<3>,3|C<3>}	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	116.2130	0.000	1	117.9379	0.334	18	117.8595	0.384	21	118.7021	1.497	41	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(O[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,6|C<3>}	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(O[5a]C[5a,6a]){1|H<1>,5|C<3>}	117.7100	0.000	1	117.7100	0.000	1	117.7100	0.000	1	118.7021	1.497	41	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,6|C<3>}	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){3|C<3>,3|H<1>}	120.1755	0.145	2	120.1755	0.021	2	120.1755	0.021	2	118.7021	1.497	41	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](C[6a]C[5a,6a]C[6a])(N[6a]C[6a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]N[6a]){1|N<3>,2|H<1>,5|C<3>}	N[6a](C[6a]C[5a,6a]C[6a])(N[6a]C[6a]N){1|C<4>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|N<3>,2|C<4>,3|C<3>}	120.5680	0.000	1	120.5680	0.000	1	120.5680	0.000	1	118.7021	1.497	41	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C[5a])(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C[5a])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,5|C<3>}	N[6a](C[6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a]){1|N<2>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	119.3550	0.290	2	119.3550	0.084	2	120.2981	0.581	9	118.7021	1.497	41	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]2)(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]2)(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|N<2>}	N[6a](C[6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a]){2|H<1>,3|C<3>}	120.2760	0.000	1	120.3605	0.014	2	120.2981	0.581	9	118.7021	1.497	41	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]2)(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]2)(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<3>,2|N<2>,3|C<3>}	N[6a](C[6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	120.4450	0.000	1	120.3605	0.014	2	120.2981	0.581	9	118.7021	1.497	41	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]2)(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]2)(N[6a]C[6a]){1|C<3>,1|N<3>,3|H<1>,3|N<2>}	N[6a](C[6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a]){2|H<1>,3|C<3>}	121.0480	0.120	2	120.4808	0.521	4	120.2981	0.581	9	118.7021	1.497	41	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]2)(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<4>,3|C<3>}	N[6a](C[6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	119.5520	0.000	1	120.4808	0.521	4	120.2981	0.581	9	118.7021	1.497	41	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]2)(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]2)(N[6a]C[6a]){1|N<3>,2|C<3>,2|N<2>,3|H<1>}	N[6a](C[6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	120.2750	0.000	1	120.4808	0.521	4	120.2981	0.581	9	118.7021	1.497	41	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]N[5a])(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]N[5a])(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>,2|N<2>}	N[6a](C[6a]C[5a,6a]N[5a])(C[6a]N[6a]H){2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	121.3290	0.000	1	121.3290	0.000	1	120.2981	0.581	9	118.7021	1.497	41	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[5a]C[5a]S[5a])(N[6a]C[5a,6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]C[5a])	C[5a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a]N[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[5a]C[5a]S[5a])(N[6a]C[5a,6a]){2|H<1>,6|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]C[5a]){1|S<2>,2|N<3>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a]N[6a])(C[5a]C[5a]H){1|S<2>,2|H<1>,3|C<3>}	123.2185	0.176	2	123.2185	0.031	2	123.2185	0.031	2	120.1954	1.940	28	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[5a])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[5a]N[6a])(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a]){1|N<3>,2|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[5a]){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[5a]N[6a])(N[5a]C[5a]H){2|H<1>,4|C<3>}	119.4340	0.000	1	119.4340	0.000	1	119.4340	0.000	1	120.1954	1.940	28	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]O[5a])(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]O[5a])(C[6a]C[5a]N[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]O[5a])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|O<2>,4|C<3>}	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]N[6a]N){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]O[5a])(C[6a]C[5a]N[6a]){1|H<1>,1|O<2>,4|C<3>}	121.4570	0.000	1	121.4570	0.000	1	121.4570	0.000	1	120.1954	1.940	28	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]S[5a])(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[5a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]S[5a])(N[6a]C[6a]){1|H<1>,1|N<3>,6|C<3>}	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]C[5a]C[6a]){2|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[5a]N[6a]){1|H<1>,1|S<2>,6|C<3>}	120.8980	0.000	1	120.8980	0.000	1	120.8980	0.000	1	120.1954	1.940	28	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]O[5a])(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]N[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]O[5a])(N[6a]C[6a]){1|N<3>,2|C<3>,2|N<2>,3|H<1>}	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]N[6a]H){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]N[6a])(C[5a]N[5a]H){1|C<4>,1|O<2>,2|C<3>}	119.6960	0.000	1	119.6960	0.000	1	119.6960	0.000	1	120.1954	1.940	28	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]N[5a]2)(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]N[6a])(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]N[5a]2)(N[6a]C[6a]){3|H<1>,5|C<3>}	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]N[6a])(N[5a]C[5a,6a]H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	120.8615	0.120	2	120.8615	0.014	2	120.8615	0.014	2	120.1954	1.940	28	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]O[5a])(N[6a]N[6a])	N[6a](C[6a]C[5a,6a]C[5a])(N[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a]N[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]O[5a])(N[6a]N[6a]){3|H<1>,5|C<3>}	N[6a](C[6a]C[5a,6a]C[5a])(N[6a]C[6a]H){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a]N[6a])(C[5a]C[5a]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.4350	3.275	2	120.4350	10.728	2	120.4350	10.728	2	120.1954	1.940	28	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|H<1>,6|C<3>}	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2){7|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,7|C<3>}	121.4530	0.000	1	121.4530	0.000	1	119.9463	1.706	3	120.1954	1.940	28	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|N<2>,3|C<3>,3|H<1>}	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H){4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a]){1|C<4>,5|C<3>}	119.1930	0.079	2	119.1930	0.006	2	119.9463	1.706	3	120.1954	1.940	28	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]Cl)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|Cl<1>,1|N<2>,1|N<3>,3|C<3>,3|H<1>}	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H){4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]Cl){1|C<4>,1|N<3>,3|C<3>}	119.0360	0.000	1	119.0360	0.000	1	119.3374	0.166	8	120.1954	1.940	28	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|N<3>,3|C<3>,4|H<1>}	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H){4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){1|B<3>,1|C<4>,3|C<3>}	119.2340	0.000	1	119.3830	0.212	6	119.3374	0.166	8	120.1954	1.940	28	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|N<3>,3|C<3>,4|H<1>}	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H){4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){1|C<4>,1|N<3>,3|C<3>}	119.5487	0.470	4	119.3830	0.212	6	119.3374	0.166	8	120.1954	1.940	28	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|N<3>,3|C<3>,4|H<1>}	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H){4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){1|C<4>,4|C<3>}	118.8690	0.000	1	119.3830	0.212	6	119.3374	0.166	8	120.1954	1.940	28	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|N<3>,1|S<2>,3|C<3>,3|H<1>}	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H){4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]S){1|C<4>,1|H<1>,3|C<3>}	119.3650	0.000	1	119.3650	0.000	1	119.3374	0.166	8	120.1954	1.940	28	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C[6a])(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C[6a])(N[6a]C[6a]){3|H<1>,6|C<3>}	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a,6a]H){1|H<1>,5|C<3>}	120.6440	0.000	1	120.6440	0.000	1	119.4287	2.914	3	120.1954	1.940	28	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|Cl<1>,3|H<1>,5|C<3>}	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a,6a]H){1|H<1>,5|C<3>}	120.1650	0.000	1	120.1650	0.000	1	119.4287	2.914	3	120.1954	1.940	28	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,4|C<3>,4|H<1>}	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]H){1|H<1>,1|S<2>,3|C<3>}	117.4770	0.000	1	117.4770	0.000	1	119.4287	2.914	3	120.1954	1.940	28	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](C[6a]C[5a,6a]C[6a])(N[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[6a]N[6a]){1|N<2>,1|N<3>,2|H<1>,5|C<3>}	N[6a](C[6a]C[5a,6a]C[6a])(N[6a]C[6a]2){1|O<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a]){1|N<3>,1|O<1>,5|C<3>}	120.6720	0.608	2	120.6720	0.370	2	120.6720	0.370	2	120.1954	1.940	28	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](C[6a]C[5a,6a]C[6a])(N[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[6a]N[6a]){1|N<2>,1|N<3>,3|C<3>,4|H<1>}	N[6a](C[6a]C[5a,6a]C[6a])(N[6a]C[6a]H){1|O<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	120.0200	0.000	1	120.0200	0.000	1	120.0200	0.000	1	120.1954	1.940	28	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[5a,6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,5|C<3>}	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]C){4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a]){2|H<1>,5|C<3>}	120.7690	0.000	1	120.7690	0.000	1	120.7690	0.000	1	120.1954	1.940	28	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:4:2:	3:3:	3:3:2:	C[5a,6a]-3:C[3]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[3]C[3]2H)(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C[3])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C[3])(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[3]C[3]2H)(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,5|H<1>}	N[6a](C[6a]C[5a,6a]C[3])(C[6a]N[6a]H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C[3])(N[5a]C[5a]){1|C<3>,2|C<4>,3|H<1>}	118.5470	0.000	1	118.6350	0.015	2	118.6350	0.015	2	118.6350	0.015	2	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:4:2:	3:3:	3:3:2:	C[5a,6a]-3:C[3]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[3]C[3]2H)(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C[3])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C[3])(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[3]C[3]2H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,4|H<1>}	N[6a](C[6a]C[5a,6a]C[3])(C[6a]N[6a]H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C[3])(N[5a]C[5a]){1|C<3>,2|H<1>,3|C<4>}	118.7230	0.000	1	118.6350	0.015	2	118.6350	0.015	2	118.6350	0.015	2	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:4:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]C[5]2H)(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C[5])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]C[5])(N[5a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]C[5]2H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,7|C<3>}	N[6a](C[6a]C[5a,6a]C[5])(C[6a]C[6a]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]C[5])(N[5a]C[5a,6a]C){1|C<4>,2|H<1>,4|C<3>}	120.0220	0.000	1	120.0220	0.000	1	120.4365	0.344	2	120.5503	0.358	4	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:4:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]C[5]O[5]H)(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C[5])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]C[5])(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]C[5]O[5]H)(N[6a]C[6a]){2|H<1>,7|C<3>}	N[6a](C[6a]C[5a,6a]C[5])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]C[5])(N[5a]C[5a,6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	120.8510	0.000	1	120.8510	0.000	1	120.4365	0.344	2	120.5503	0.358	4	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:4:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6]C[6]2C)(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C[6])(C[6a]N[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]C[6])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6]C[6]2C)(N[6a]C[6a]){1|N<2>,1|S<2>,2|C<3>,2|C<4>,5|H<1>}	N[6a](C[6a]C[5a,6a]C[6])(C[6a]N[6a]H){1|C<2>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]C[6]){1|C<2>,1|C<3>,2|H<1>,4|C<4>}	121.2470	0.000	1	121.2470	0.000	1	121.2470	0.000	1	120.5503	0.358	4	119.8207	4.312	604	119.9646	4.519	803
643	371	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:4:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6]N[6,6]C[6]H)(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]C[6])(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6]N[6,6]C[6]H)(N[6a]C[6a]){1|C<4>,4|H<1>,5|C<3>}	N[6a](C[6a]C[5a,6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]C[6])(N[5a]C[5a,6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	120.0810	0.000	1	120.0810	0.000	1	120.0810	0.000	1	120.5503	0.358	4	119.8207	4.312	604	119.9646	4.519	803
643	371	730	0:SP2_SP2_SP2	C[6a]	N[6a]	As	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:As-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(AsC[6]2)	N[6a](C[6a]C[6a]As)(C[6a]C[6a]C)	As(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(AsC[6]2){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]As)(C[6a]C[6a]C){1|C<3>,2|H<1>}	As(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2	115.2540	0.092	2	115.2540	0.008	2	115.2540	0.008	2	116.2662	14.326	5	116.2662	14.326	5	116.2662	14.326	5
643	371	730	0:SP2_SP2_SP2	C[6a]	N[6a]	As	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:As-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(AsC[6a]2)	N[6a](C[6a]C[6a]As)(C[6a]C[6a]H)	As(C[6a]C[6a]N[6a])3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(AsC[6a]2){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]As)(C[6a]C[6a]H){1|C<3>,2|H<1>}	As(C[6a]C[6a]N[6a])3	116.9410	5.190	3	116.9410	26.941	3	116.9410	26.941	3	116.2662	14.326	5	116.2662	14.326	5	116.2662	14.326	5
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6]	3:3:2:	3:3:	3:3:3:	C[6,6]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:N[6]-3:	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]2)(N[6]C[6]H)	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|O<1>,3|H<1>,4|C<3>}	N[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]2)(N[6]C[6]H){1|O<1>,2|H<1>,4|C<3>}	115.6152	0.561	5	115.6152	0.315	5	115.6152	0.315	5	115.6031	2.040	9	115.6031	2.040	9	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6]	3:3:2:	3:3:	3:3:3:	C[6,6]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]N[6a])(N[6,6]B[6]C[6])(C[6]C[6]H)	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|B<4>,3|C<3>,5|H<1>}	N[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]N[6a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|C<4>,2|H<1>,5|C<3>}	114.9550	0.000	1	114.9550	0.000	1	116.6265	5.588	2	115.6031	2.040	9	115.6031	2.040	9	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6]	3:3:2:	3:3:	3:3:3:	C[6,6]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]N[6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]N[6a])(N[6,6]C[6]2)(C[6]C[6]N)	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]N[6])(N[6a]C[6a]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	N[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<3>}	C[6,6](C[6,6a]C[6,6a]N[6a])(N[6,6]C[6]2)(C[6]C[6]N){1|N<3>,3|H<1>,4|C<3>}	118.2980	0.000	1	118.2980	0.000	1	116.6265	5.588	2	115.6031	2.040	9	115.6031	2.040	9	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6,6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:N[6]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6]C[6,6]N[6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[5,6]C[6])(N[6]C[6]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6]C[6,6]N[6])(N[6a]C[6a]){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	N[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[5,6]C[6])(N[6]C[6]H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	116.1560	0.000	1	116.1560	0.000	1	116.1560	0.000	1	115.6031	2.040	9	115.6031	2.040	9	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6,6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6]N[6,6]C[6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]N[6a])(N[6,6]B[5,6]C[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6]N[6,6]C[6])(N[6a]C[6a]){1|B<4>,3|H<1>,5|C<3>}	N[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]N[6a])(N[6,6]B[5,6]C[6])(C[6]C[6]H){2|C<4>,2|H<1>,4|C<3>}	112.9430	0.000	1	112.9430	0.000	1	112.9430	0.000	1	115.6031	2.040	9	115.6031	2.040	9	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:2:3:	3:2:	3:3:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(N[6a]N[6a])(C[6]C[6]H)	N[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6,6a])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(N[6a]N[6a])(C[6]C[6]H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6,6a]){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	118.9140	0.325	3	119.4040	0.505	5	119.4040	0.505	5	119.1662	0.744	6	118.2627	5.380	104	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:2:3:	3:2:	3:3:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(N[6a]N[6a])(C[6]C[6]H)	N[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6,6a])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(N[6a]N[6a])(C[6]C[6]H){1|Pd<6>,1|H<1>,1|N<3>,2|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6,6a]){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	120.1390	0.092	2	119.4040	0.505	5	119.4040	0.505	5	119.1662	0.744	6	118.2627	5.380	104	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:2:3:	3:2:	3:3:1:	N[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](N[6,6a]C[6a,6a]C[6])(N[6a]N[6a])(C[6]C[6]H)	N[6a](C[6,6a]N[6,6a]C[6])(N[6a]C[6a,6a])	C[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]H)(H)	C[6,6a](N[6,6a]C[6a,6a]C[6])(N[6a]N[6a])(C[6]C[6]H){2|H<1>,3|C<3>}	N[6a](C[6,6a]N[6,6a]C[6])(N[6a]C[6a,6a]){1|H<1>,4|C<3>}	C[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,2|C<3>}	117.9770	0.000	1	117.9770	0.000	1	117.9770	0.000	1	119.1662	0.744	6	118.2627	5.380	104	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:2:3:	3:3:	3:2:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-2:H-1:	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a])(C[6]C[6]H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[5])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6])(H)	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a])(C[6]C[6]H){3|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[5]){1|C<3>,1|H<1>,1|N<2>,2|C<2>,2|N<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6])(H){1|C<2>,1|C<3>,1|H<1>,1|N<2>}	118.5240	0.000	1	118.5240	0.000	1	118.5240	0.000	1	117.9175	0.736	2	118.2627	5.380	104	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:2:3:	3:3:	3:2:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-2:O-1:	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a])(C[6]N[6]O)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6])(O)	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a])(C[6]N[6]O){1|C<2>,2|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C){1|C<2>,1|O<1>,3|N<2>}	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6])(O){1|C<3>,1|O<1>,2|N<2>}	117.3110	0.000	1	117.3110	0.000	1	117.3110	0.000	1	117.9175	0.736	2	118.2627	5.380	104	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:2:3:	3:3:	3:2:2:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[6]-2:N-2:	C[6,6a](C[6,6a]C[6a]O[6])(N[6a]C[6a])(C[6]O[6]N)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]C)	C[6](C[6,6a]C[6,6a]N[6a])(O[6]C[6])(NC)	C[6,6a](C[6,6a]C[6a]O[6])(N[6a]C[6a])(C[6]O[6]N){1|N<3>,1|O<1>,2|C<4>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]C){1|C<3>,1|C<4>,1|N<2>,2|O<2>}	C[6](C[6,6a]C[6,6a]N[6a])(O[6]C[6])(NC){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	118.9900	0.000	1	118.9900	0.000	1	118.9900	0.000	1	118.9900	0.000	1	118.2627	5.380	104	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:2:3:	3:3:	3:2:3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-2:N-3:	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a])(C[6]N[6]N)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6])(NHH)	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a])(C[6]N[6]N){1|H<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){2|C<3>,2|N<2>,3|N<3>}	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6])(NHH){1|C<3>,1|N<2>,2|N<3>}	120.5836	0.475	8	120.5836	0.225	8	120.5836	0.225	8	120.4106	0.467	9	118.2627	5.380	104	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:2:3:	3:3:	3:2:3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:O[6]-2:C-3:	C[6,6a](C[6,6a]C[6,6a]N[6a])(N[6a]C[6a,6a])(C[6]O[6]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]N[6a])(O[6]C[6,6a])(CCH)	C[6,6a](C[6,6a]C[6,6a]N[6a])(N[6a]C[6a,6a])(C[6]O[6]C){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(O[6]C[6,6a])(CCH){1|N<2>,3|C<3>}	119.0260	0.000	1	119.0260	0.000	1	119.0260	0.000	1	120.4106	0.467	9	118.2627	5.380	104	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:1:	C[6,6a,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a,6a])(C[6]C[6]H)	N[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a,6a])(C[6]C[6]H){1|H<1>,5|C<3>}	N[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a,6a]C[6a]){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]C[6]H)(H){1|O<1>,3|C<3>}	117.2460	0.000	1	117.2460	0.000	1	117.2460	0.000	1	117.8983	4.971	53	118.2627	5.380	104	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:1:	C[6,6a,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(C[6]C[6]H)	N[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]N[6a])	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(C[6]C[6]H){1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]C[6]H)(H){1|O<1>,3|C<3>}	119.1710	0.000	1	119.1710	0.000	1	119.1710	0.000	1	117.8983	4.971	53	118.2627	5.380	104	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6,6a])(C[6]C[5,6]O)	N[6a](C[6,6a]C[6,6a]C[6])2	C[6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[5,6]N[5])(O)	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6,6a])(C[6]C[5,6]O){1|N<2>,1|O<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])2{1|N<2>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[5,6]N[5])(O){2|C<3>,3|N<2>}	116.0285	0.268	2	116.0285	0.072	2	116.0285	0.072	2	117.8983	4.971	53	118.2627	5.380	104	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[3,6]C[6a])(N[6a]C[6a])(C[6]C[6]H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[3,6]H)(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(N[6a]C[6a])(C[6]C[6]H){1|C<3>,2|C<4>,4|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[3,6]H)(H){1|N<3>,2|C<3>,2|C<4>}	117.1075	0.026	2	117.1075	0.001	2	119.5845	2.237	17	117.8983	4.971	53	118.2627	5.380	104	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6a])(C[6]C[6]H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6a])(C[6]C[6]H){2|C<3>,2|C<4>,3|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]H)(H){1|C<4>,1|H<1>,3|C<3>}	117.6280	0.000	1	117.6280	0.000	1	119.5845	2.237	17	117.8983	4.971	53	118.2627	5.380	104	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]H)(H){1|H<1>,3|C<3>}	118.8400	0.000	1	118.8400	0.000	1	119.5845	2.237	17	117.8983	4.971	53	118.2627	5.380	104	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]H){2|H<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C){1|C<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H){1|C<2>,1|H<1>,2|C<3>}	118.3120	0.000	1	118.3120	0.000	1	119.5845	2.237	17	117.8983	4.971	53	118.2627	5.380	104	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[6]){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]H)(H){1|H<1>,3|C<3>}	119.1070	0.000	1	119.1070	0.000	1	119.5845	2.237	17	117.8983	4.971	53	118.2627	5.380	104	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6])(H){1|C<4>,5|C<3>}	119.4020	0.000	1	119.2340	0.056	2	119.5845	2.237	17	117.8983	4.971	53	118.2627	5.380	104	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6])(H){1|C<4>,5|C<3>}	119.0660	0.000	1	119.2340	0.056	2	119.5845	2.237	17	117.8983	4.971	53	118.2627	5.380	104	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]S)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]H){1|C<2>,1|C<3>,1|S<2>,3|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]S){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H){3|C<3>}	120.6200	0.000	1	120.6200	0.000	1	119.5845	2.237	17	117.8983	4.971	53	118.2627	5.380	104	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a])(C[6]C[6]H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a])(C[6]C[6]H){1|Al<6>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	121.7580	0.092	3	120.7184	0.804	8	119.5845	2.237	17	117.8983	4.971	53	118.2627	5.380	104	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a])(C[6]C[6]H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a])(C[6]C[6]H){1|Cr<8>,1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	120.2810	0.140	2	120.7184	0.804	8	119.5845	2.237	17	117.8983	4.971	53	118.2627	5.380	104	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a])(C[6]C[6]H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a])(C[6]C[6]H){1|Rh<5>,1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	120.3060	0.000	1	120.7184	0.804	8	119.5845	2.237	17	117.8983	4.971	53	118.2627	5.380	104	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a])(C[6]C[6]H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a])(C[6]C[6]H){1|Rh<8>,1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	120.0450	0.000	1	120.7184	0.804	8	119.5845	2.237	17	117.8983	4.971	53	118.2627	5.380	104	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a])(C[6]C[6]H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a])(C[6]C[6]H){1|Zr<10>,1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	119.5600	0.000	1	120.7184	0.804	8	119.5845	2.237	17	117.8983	4.971	53	118.2627	5.380	104	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(N[6a]C[6a])(C[6]C[6]O)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5a,6]O)(O)	C[6,6a](C[6,6a]C[5a,6]C[6a])(N[6a]C[6a])(C[6]C[6]O){1|N<3>,1|O<1>,4|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5a,6]O)(O){4|C<3>}	113.6590	0.000	1	113.6590	0.000	1	116.2048	1.807	6	117.8983	4.971	53	118.2627	5.380	104	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]O)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5]C[6])(O){1|H<1>,2|S<2>,3|C<3>}	116.9470	0.000	1	116.9470	0.000	1	116.2048	1.807	6	117.8983	4.971	53	118.2627	5.380	104	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]O)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]O){1|O<1>,1|O<2>,4|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]O)(O){1|H<1>,3|C<3>}	116.3360	0.000	1	116.3360	0.000	1	116.2048	1.807	6	117.8983	4.971	53	118.2627	5.380	104	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]O)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]O){1|Cl<1>,2|C<3>,3|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(O){1|H<1>,3|C<3>}	117.4210	0.000	1	116.7025	1.032	2	116.2048	1.807	6	117.8983	4.971	53	118.2627	5.380	104	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]O)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]O){1|N<2>,2|C<3>,3|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(O){1|H<1>,3|C<3>}	115.9840	0.000	1	116.7025	1.032	2	116.2048	1.807	6	117.8983	4.971	53	118.2627	5.380	104	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]O)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]I)(O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]O){1|I<1>,1|S<4>,2|C<3>,2|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]I)(O){1|H<1>,3|C<3>}	116.8820	0.000	1	116.8820	0.000	1	116.2048	1.807	6	117.8983	4.971	53	118.2627	5.380	104	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6a]C[6a])(C[6]N[6]H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6,6a]C)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6a]C[6a])(C[6]N[6]H){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6,6a]C)(H){4|C<3>}	113.7170	2.594	2	113.7170	6.727	2	113.7170	6.727	2	117.8983	4.971	53	118.2627	5.380	104	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:S-1:	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a])(C[6]N[6]S)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6]H)(S)	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a])(C[6]N[6]S){2|C<3>,3|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|S<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6]H)(S){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	119.7800	0.000	1	120.1595	0.288	2	120.1595	0.288	2	117.8983	4.971	53	118.2627	5.380	104	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:S-1:	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a])(C[6]N[6]S)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6]H)(S)	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a])(C[6]N[6]S){2|C<3>,3|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|S<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6]H)(S){1|C<3>,1|N<2>,1|N<3>,1|S<1>}	120.5390	0.000	1	120.1595	0.288	2	120.1595	0.288	2	117.8983	4.971	53	118.2627	5.380	104	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6a]O){1|C<4>,1|O<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|H<1>,1|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O){1|H<1>,1|N<2>,4|C<3>}	114.1940	0.000	1	114.1940	0.000	1	116.1140	1.193	6	117.8983	4.971	53	118.2627	5.380	104	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O)	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6a]O){1|O<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O){1|H<1>,1|N<2>,4|C<3>}	117.0365	0.221	2	117.0365	0.049	2	116.1140	1.193	6	117.8983	4.971	53	118.2627	5.380	104	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]N[6a])2(O)	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6a]O){1|N<2>,1|O<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|C<2>,1|N<2>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])2(O){2|N<2>,3|C<3>}	115.9745	0.602	2	116.1390	0.262	3	116.1140	1.193	6	117.8983	4.971	53	118.2627	5.380	104	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]N[6a])2(O)	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6a]O){1|N<2>,1|O<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])2(O){2|N<2>,3|C<3>}	116.4680	0.000	1	116.1390	0.262	3	116.1140	1.193	6	117.8983	4.971	53	118.2627	5.380	104	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6])(H){1|Ru<6>,5|C<3>}	119.0065	0.035	2	119.0065	0.001	2	119.1480	0.448	7	117.8983	4.971	53	118.2627	5.380	104	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a,6a])(C[6]C[6]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a,6a])(C[6]C[6]H){1|Cu<5>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H){1|N<3>,3|C<3>}	118.4730	0.000	1	119.2046	0.657	5	119.1480	0.448	7	117.8983	4.971	53	118.2627	5.380	104	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a,6a])(C[6]C[6]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a,6a])(C[6]C[6]H){1|Ru<6>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H){1|N<3>,3|C<3>}	118.7600	0.035	2	119.2046	0.657	5	119.1480	0.448	7	117.8983	4.971	53	118.2627	5.380	104	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a,6a])(C[6]C[6]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a,6a])(C[6]C[6]H){1|Zn<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H){1|N<3>,3|C<3>}	119.5770	0.000	1	119.2046	0.657	5	119.1480	0.448	7	117.8983	4.971	53	118.2627	5.380	104	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a,6a])(C[6]C[6]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a,6a])(C[6]C[6]H){1|Zn<5>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H){1|N<3>,3|C<3>}	120.4530	0.000	1	119.2046	0.657	5	119.1480	0.448	7	117.8983	4.971	53	118.2627	5.380	104	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:I-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]I)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]O[6])(I)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]I){1|H<1>,2|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|H<1>,1|I<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]O[6])(I){5|C<3>}	120.0930	0.000	1	120.0930	0.000	1	120.0930	0.000	1	117.8983	4.971	53	118.2627	5.380	104	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|H<1>,1|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(O){1|S<2>,3|C<3>}	114.5987	0.299	3	114.5987	0.089	3	114.5987	0.089	3	117.8983	4.971	53	118.2627	5.380	104	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[3,5,6]C[6a])(N[6a]C[6a,6a])(C[6]N[6]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[5,6]H)(O)	C[6,6a](C[6,6a]C[3,5,6]C[6a])(N[6a]C[6a,6a])(C[6]N[6]O){2|C<3>,2|H<1>,3|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[5,6]H)(O){1|H<1>,2|C<3>,2|C<4>}	116.4450	0.000	1	116.4450	0.000	1	116.4450	0.000	1	117.8983	4.971	53	118.2627	5.380	104	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:1:	N[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](N[6,6a]C[6,6a]C[6])(N[6a]C[6a])(C[6]C[6]H)	N[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6,6a]H)	C[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]H)(H)	C[6,6a](N[6,6a]C[6,6a]C[6])(N[6a]C[6a])(C[6]C[6]H){3|C<3>,3|H<1>}	N[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6,6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]H)(H){1|H<1>,3|C<3>}	119.4910	0.000	1	119.4910	0.000	1	119.4910	0.000	1	117.8983	4.971	53	118.2627	5.380	104	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:1:	N[6,6a]-3:N[6a]-2:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6,6a]N[6a])(O)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6a]O){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6,6a]N[6a])(O){1|C<4>,1|H<1>,4|C<3>}	116.8740	0.000	1	116.8740	0.000	1	116.8740	0.000	1	117.8983	4.971	53	118.2627	5.380	104	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:1:	N[6,6a]-3:N[6a]-2:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6])	C[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6a]C[6])(H)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]H){1|O<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6]){2|H<1>,5|C<3>}	C[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6a]C[6])(H){6|C<3>}	118.8630	0.000	1	118.8630	0.000	1	118.8630	0.000	1	117.8983	4.971	53	118.2627	5.380	104	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:1:	N[6,6a]-3:N[6a]-2:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6])	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]C)(O)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]C)(O){1|C<4>,1|O<1>,2|C<3>}	115.9350	0.000	1	115.9350	0.000	1	115.9350	0.000	1	117.8983	4.971	53	118.2627	5.380	104	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:2:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a])(C[6]C[6]O)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(OC[6a])	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a])(C[6]C[6]O){1|Pt<4>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(OC[6a]){1|H<1>,1|N<3>,2|C<3>}	118.9360	0.000	1	118.9360	0.000	1	118.9360	0.000	1	120.7340	2.519	3	118.2627	5.380	104	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:2:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:S-2:	C[6,6a](C[6,6a]N[6a]O[6])(N[6a]C[6a,6a])(C[6]C[6]S)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]S)(SCo)	C[6,6a](C[6,6a]N[6a]O[6])(N[6a]C[6a,6a])(C[6]C[6]S){1|C<4>,1|S<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|H<1>,1|N<2>,1|O<2>,1|S<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]S)(SCo){1|C<3>,1|N<2>,1|O<2>,2|C<4>}	121.6330	0.434	2	121.6330	0.188	2	121.6330	0.188	2	120.7340	2.519	3	118.2627	5.380	104	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:N-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]N)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]Cl)(NHH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]N){1|Cl<1>,1|O<1>,4|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]Cl)(NHH){1|O<1>,3|C<3>}	115.4750	0.000	1	115.4750	0.000	1	117.7383	9.068	3	118.6955	9.710	4	118.2627	5.380	104	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:N-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]N)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]2)(NC[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]N){1|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]2)(NC[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	116.5840	0.000	1	116.5840	0.000	1	117.7383	9.068	3	118.6955	9.710	4	118.2627	5.380	104	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:N-3:	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a])(C[6]C[6]N)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(NCC)	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a])(C[6]C[6]N){1|Pt<4>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(NCC){1|H<1>,1|N<3>,2|C<3>}	121.1560	0.000	1	121.1560	0.000	1	117.7383	9.068	3	118.6955	9.710	4	118.2627	5.380	104	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:3:	N[6,6a]-3:N[6a]-2:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C-3:	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6])	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]H)(CCC)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]C){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]H)(CCC){1|C<4>,1|O<1>,2|C<3>}	121.5670	0.000	1	121.5670	0.000	1	121.5670	0.000	1	118.6955	9.710	4	118.2627	5.380	104	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:4:	N[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]C)	N[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]H)(CH3)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]C){1|O<2>,2|C<3>,3|H<1>}	N[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>}	C[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]H)(CH3){1|H<1>,3|C<3>}	119.5880	0.000	1	119.5880	0.000	1	119.5880	0.000	1	119.5880	0.000	1	118.2627	5.380	104	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:2:3:	3:3:	3:4:1:	C[5,6,6a]-3:N[6a]-2:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[6a]C[6a,6a])(C[6]C[6]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6,6a]C[6])	C[6](C[6,6a]C[5,6,6a]N[6a])(C[6]C[6]CC)(O)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[6a]C[6a,6a])(C[6]C[6]O){1|N<3>,2|C<4>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6,6a]C[6]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[5,6,6a]N[6a])(C[6]C[6]CC)(O){1|H<1>,3|C<3>}	122.3970	0.207	3	122.3970	0.043	3	122.3970	0.043	3	119.6198	14.496	5	118.2627	5.380	104	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:2:3:	3:3:	3:4:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]O)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]Cl2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]O){2|Cl<1>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]Cl2)(O){2|Cl<1>,3|C<3>}	115.2910	0.000	1	115.2910	0.000	1	115.2910	0.000	1	119.6198	14.496	5	118.2627	5.380	104	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:2:3:	3:3:	3:4:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(O){1|C<4>,2|C<3>,2|H<1>}	115.6170	0.000	1	115.6170	0.000	1	115.6170	0.000	1	119.6198	14.496	5	118.2627	5.380	104	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:2:3:	3:3:	3:4:3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[5a,6a])(C[6]C[6]C)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]HH)(CC[5a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[5a,6a])(C[6]C[6]C){2|C<3>,2|N<3>,4|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6]){1|N<2>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]HH)(CC[5a]H){2|C<3>,2|C<4>}	116.7250	0.000	2	116.7250	0.000	2	116.7250	0.000	2	116.4972	0.105	5	118.2627	5.380	104	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:2:3:	3:3:	3:4:3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]C)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(CC[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]C){1|C<4>,3|C<3>,4|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(CC[6a]H){1|C<4>,2|C<3>,2|H<1>}	116.5480	0.014	2	116.5480	0.000	2	116.5480	0.000	2	116.4972	0.105	5	118.2627	5.380	104	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:2:3:	3:3:	3:4:3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]C)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(CC[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]C){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6]){2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(CC[6a]H){1|C<4>,2|C<3>,2|H<1>}	115.9400	0.000	1	115.9400	0.000	1	115.9400	0.000	1	116.4972	0.105	5	118.2627	5.380	104	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:1:	C[6,6a,6a]-3:C[6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]O)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]O)(N[6a]C[6a]){1|N<2>,5|C<3>}	N[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]C){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<2>,4|C<3>}	117.0960	0.000	1	117.0960	0.000	1	116.1605	1.750	2	116.5172	4.252	11	118.2627	5.380	104	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:1:	C[6,6a,6a]-3:C[6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]O)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]O)(N[6a]C[6a]){1|H<1>,5|C<3>}	N[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6,6a]C[6,6a]C[6a])(O){1|O<2>,5|C<3>}	115.2250	0.000	1	115.2250	0.000	1	116.1605	1.750	2	116.5172	4.252	11	118.2627	5.380	104	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6]-3:N[6a]-2:	C[6,6a]-3:C[6,6a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[5a,6]O)(N[6a]C[6,6a])	N[6a](C[6,6a]C[6,6a]C[6])2	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]N[6a])(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[5a,6]O)(N[6a]C[6,6a]){1|N<2>,1|O<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])2{1|N<2>,2|O<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]N[6a])(O){1|N<3>,2|C<3>,2|N<2>}	115.4795	0.015	2	115.4795	0.000	2	115.4795	0.000	2	116.5172	4.252	11	118.2627	5.380	104	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6,6a]C[6,6a]N[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6,6a]C[6,6a]N[6a])(O){6|C<3>}	115.7100	0.000	1	115.7100	0.000	1	115.7100	0.000	1	116.5172	4.252	11	118.2627	5.380	104	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]H)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]H)(N[6a]C[6a]){1|C<4>,2|C<3>,4|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6])(H){2|C<4>,2|H<1>,3|C<3>}	118.4400	0.000	1	118.4400	0.000	1	118.4400	0.000	1	116.5172	4.252	11	118.2627	5.380	104	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:Cl-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]Cl)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(Cl)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]Cl)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(Cl){1|H<1>,1|N<3>,4|C<3>}	120.0015	0.585	2	120.0015	0.342	2	120.0015	0.342	2	116.5172	4.252	11	118.2627	5.380	104	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(N[6a]C[6a]){1|H<1>,1|O<1>,4|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O){1|H<1>,5|C<3>}	114.5870	0.000	1	114.7520	0.022	3	114.7520	0.022	3	116.5172	4.252	11	118.2627	5.380	104	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(N[6a]C[6a]){1|H<1>,1|O<1>,4|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|I<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O){1|H<1>,5|C<3>}	114.8720	0.000	1	114.7520	0.022	3	114.7520	0.022	3	116.5172	4.252	11	118.2627	5.380	104	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(N[6a]C[6a]){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O){1|C<4>,1|N<2>,4|C<3>}	114.7970	0.000	1	114.7520	0.022	3	114.7520	0.022	3	116.5172	4.252	11	118.2627	5.380	104	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6]N[6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]Co)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6]N[6])(N[6a]C[6a]){1|Co<6>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]Co){1|H<1>,1|N<2>,5|C<3>}	116.6700	0.000	1	116.6700	0.000	1	116.6700	0.000	1	119.5865	4.007	4	118.2627	5.380	104	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5a]C[6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]N[6a])(N[5a]C[5a,6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5a]C[6])(N[6a]C[6a]){1|Pt<4>,1|O<2>,2|H<1>,4|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]N[6a])(N[5a]C[5a,6a]2)(C[6]C[6]H){1|H<1>,1|N<3>,6|C<3>}	120.8880	0.173	2	120.8880	0.030	2	120.8880	0.030	2	119.5865	4.007	4	118.2627	5.380	104	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6]N[6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6,6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6]N[6])(N[6a]C[6a]){1|Pt<4>,1|O<2>,2|H<1>,4|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6,6a]2)(C[6]C[6]H){1|H<1>,1|N<3>,6|C<3>}	119.9000	0.000	1	119.9000	0.000	1	119.9000	0.000	1	119.5865	4.007	4	118.2627	5.380	104	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	2:2:3:	3:2:	3:3:3:	N[6a]-2:N[6a]-2:C[6]-3:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](N[6a]N[6a])2(C[6]C[6]2)	N[6a](C[6a]N[6a]C[6])(N[6a]C[6a])	C[6](C[6a]N[6a]2)(C[6]C[6]H)2	C[6a](N[6a]N[6a])2(C[6]C[6]2){2|H<1>,3|C<3>}	N[6a](C[6a]N[6a]C[6])(N[6a]C[6a]){1|N<2>,3|C<3>}	C[6](C[6a]N[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,2|N<2>}	117.2309	1.104	22	117.2309	1.218	22	117.2309	1.218	22	117.2309	1.218	22	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	2:2:3:	3:3:	3:3:2:	N[6a]-2:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](N[6a]C[6a])2(C[6]N[6]2)	N[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]N[6a]2)(N[6]C[6]H)(N[6]C[6])	C[6a](N[6a]C[6a])2(C[6]N[6]2){3|C<3>,3|H<1>}	N[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6a]N[6a]2)(N[6]C[6]H)(N[6]C[6]){2|H<1>,3|C<3>}	116.0995	0.536	6	116.0995	0.288	6	116.2933	0.430	8	116.2933	0.430	8	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	2:2:3:	3:3:	3:3:2:	N[6a]-2:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](N[6a]C[6a])2(C[6]N[6]2)	N[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]N[6a]2)(N[6]N[6]H)(N[6]N[6])	C[6a](N[6a]C[6a])2(C[6]N[6]2){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	N[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6a]N[6a]2)(N[6]N[6]H)(N[6]N[6]){1|H<1>,3|C<3>}	116.8745	0.818	2	116.8745	0.669	2	116.2933	0.430	8	116.2933	0.430	8	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	2:2:3:	3:3:	3:3:3:	N[6a]-2:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](N[6a]C[6a])2(C[6]C[6]2)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6])	C[6](C[6a]N[6a]2)(C[6]C[6]H)2	C[6a](N[6a]C[6a])2(C[6]C[6]2){1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6]){5|C<3>}	C[6](C[6a]N[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,2|H<1>}	117.2040	0.164	2	117.2040	0.027	2	117.2531	1.226	192	117.2531	1.226	192	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	2:2:3:	3:3:	3:3:3:	N[6a]-2:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](N[6a]C[6a])2(C[6]C[6]2)	N[6a](C[6a]N[6a]C[6])(C[6a]N[6a]N)	C[6](C[6a]N[6a]2)(C[6]C[6]H)2	C[6a](N[6a]C[6a])2(C[6]C[6]2){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	N[6a](C[6a]N[6a]C[6])(C[6a]N[6a]N){3|C<3>}	C[6](C[6a]N[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,2|H<1>}	116.3435	0.858	8	116.3435	0.736	8	117.2531	1.226	192	117.2531	1.226	192	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	2:2:3:	3:3:	3:3:3:	N[6a]-2:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](N[6a]C[6a])2(C[6]C[6]2)	N[6a](C[6a]N[6a]C[6])2	C[6](C[6a]N[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6a](N[6a]C[6a])2(C[6]C[6]2){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]N[6a]C[6])2{5|C<3>}	C[6](C[6a]N[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Re<6>,1|H<1>,3|C<3>}	117.0865	0.700	12	117.2712	0.380	24	117.2531	1.226	192	117.2531	1.226	192	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	2:2:3:	3:3:	3:3:3:	N[6a]-2:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](N[6a]C[6a])2(C[6]C[6]2)	N[6a](C[6a]N[6a]C[6])2	C[6](C[6a]N[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6a](N[6a]C[6a])2(C[6]C[6]2){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]N[6a]C[6])2{5|C<3>}	C[6](C[6a]N[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Ru<9>,1|H<1>,3|C<3>}	117.4559	0.479	12	117.2712	0.380	24	117.2531	1.226	192	117.2531	1.226	192	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	2:2:3:	3:3:	3:3:3:	N[6a]-2:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](N[6a]C[6a])2(C[6]C[6]2)	N[6a](C[6a]N[6a]C[6])2	C[6](C[6a]N[6a]2)(C[6]C[6]H)2	C[6a](N[6a]C[6a])2(C[6]C[6]2){1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a]N[6a]C[6])2{5|C<3>}	C[6](C[6a]N[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,2|H<1>}	117.2970	1.165	158	117.2970	1.358	158	117.2531	1.226	192	117.2531	1.226	192	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	2:3:2:	3:2:	3:3:3:	N[6a]-2:C[6]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](N[6a]C[6a,6a])(C[6]C[6]N[6])(N[6a]N[6a])	N[6a](C[6a]N[6a]C[6])(N[6a]C[6a,6a])	C[6](C[6a]N[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6a](N[6a]C[6a,6a])(C[6]C[6]N[6])(N[6a]N[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]N[6a]C[6])(N[6a]C[6a,6a]){1|N<3>,3|C<3>}	C[6](C[6a]N[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	115.8630	0.000	1	115.8630	0.000	1	115.8630	0.000	1	115.8630	0.000	1	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](N[6a]C[6a,6a])(C[6]C[6]N[6])(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]N[6a]C[6])	C[6](C[6a]N[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6a](N[6a]C[6a,6a])(C[6]C[6]N[6])(N[6a]N[6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]N[6a]C[6]){1|N<2>,1|N<3>,4|C<3>}	C[6](C[6a]N[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	116.5610	0.000	1	116.5610	0.000	1	116.5610	0.000	1	116.5610	0.000	1	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6]-3:C[6a]-3:	C[6,6,6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](N[6a]C[6,6,6a])(C[6]C[6]N[6])(C[6a]C[6a]H)	N[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]C[6])	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Re)(C[6]C[6]H)	C[6a](N[6a]C[6,6,6a])(C[6]C[6]N[6])(C[6a]C[6a]H){1|Re<6>,1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]C[6]){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Re)(C[6]C[6]H){2|H<1>,4|C<3>}	116.3290	0.000	1	116.3290	0.000	1	116.3290	0.000	1	115.1543	1.064	7	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](N[6a]C[6a,6a])(C[6]C[6]N[6])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](N[6a]C[6a,6a])(C[6]C[6]N[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6]){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,3|H<1>}	114.7445	0.118	2	114.7445	0.014	2	114.7445	0.014	2	115.1543	1.064	7	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](N[6a]C[6a,6a])(C[6]C[6]N[6])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(C[6]C[6]H)	C[6a](N[6a]C[6a,6a])(C[6]C[6]N[6])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6]){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(C[6]C[6]H){2|H<1>,4|C<3>}	114.0035	0.281	2	114.0035	0.079	2	114.0035	0.079	2	115.1543	1.064	7	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]2){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6]){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2{1|N<3>,2|C<3>,3|H<1>}	116.1275	0.182	2	116.1275	0.033	2	116.1275	0.033	2	115.1543	1.064	7	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:2:2:	3:2:	3:3:3:	C[6]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(N[6a]N[6a])2	N[6a](C[6a]N[6a]C[6])(N[6a]C[6a])	C[6](C[6a]N[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(N[6a]N[6a])2{2|H<1>,3|C<3>}	N[6a](C[6a]N[6a]C[6])(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>}	C[6](C[6a]N[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|C<3>,2|H<1>,2|N<2>}	117.0660	0.448	4	117.0660	0.201	4	117.0660	0.201	4	117.0660	0.201	4	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:2:2:	3:3:	3:3:3:	C[6]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6])	C[6](C[6a]N[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(N[6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6]){1|N<2>,1|N<3>,3|C<3>}	C[6](C[6a]N[6a]2)(C[6]C[6]H)(N[6]C[6]H){2|H<1>,3|C<3>}	116.8970	0.243	2	116.8970	0.059	2	116.8301	0.623	28	116.8301	0.623	28	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:2:2:	3:3:	3:3:3:	C[6]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(N[6a]C[6a])2	N[6a](C[6a]N[6a]C[6])(C[6a]N[6a]N)	C[6](C[6a]N[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(N[6a]C[6a])2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]N[6a]C[6])(C[6a]N[6a]N){1|N<3>,2|C<3>}	C[6](C[6a]N[6a]2)(C[6]C[6]H)(N[6]C[6]H){2|H<1>,3|C<3>}	116.9032	0.398	4	116.9032	0.158	4	116.8301	0.623	28	116.8301	0.623	28	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:2:2:	3:3:	3:3:3:	C[6]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(N[6a]C[6a])2	N[6a](C[6a]N[6a]C[6])2	C[6](C[6a]N[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(N[6a]C[6a])2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]N[6a]C[6])2{2|N<3>,3|C<3>}	C[6](C[6a]N[6a]2)(C[6]C[6]H)(N[6]C[6]H){2|H<1>,3|C<3>}	115.5242	0.456	4	116.8107	0.773	22	116.8301	0.623	28	116.8301	0.623	28	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:2:2:	3:3:	3:3:3:	C[6]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(N[6a]C[6a])2	N[6a](C[6a]N[6a]C[6])2	C[6](C[6a]N[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(N[6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a]N[6a]C[6])2{2|N<3>,3|C<3>}	C[6](C[6a]N[6a]2)(C[6]C[6]H)(N[6]C[6]H){2|H<1>,3|C<3>}	117.0966	0.665	18	116.8107	0.773	22	116.8301	0.623	28	116.8301	0.623	28	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:2:3:	3:2:	3:3:3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(C[6]C[6]2)	N[6a](C[6a]C[6a]C[6])(N[6a]C[6a])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(C[6]C[6]2){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[6])(N[6a]C[6a]){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	114.7415	0.186	2	114.7415	0.035	2	114.7415	0.035	2	114.7415	0.035	2	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:2:3:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-2:N[6]-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a])(N[6]N[6])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2){1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a])(N[6]N[6]){1|H<1>,5|C<3>}	116.3365	0.117	2	116.3365	0.014	2	116.7028	0.559	50	116.7028	0.559	50	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:2:3:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-2:N[6]-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6])(N[6]S[6])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2){1|S<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6])(N[6]S[6]){1|H<1>,1|N<2>,3|C<3>}	116.5679	0.515	8	116.7310	0.277	12	116.7028	0.559	50	116.7028	0.559	50	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:2:3:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-2:N[6]-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6])(N[6]S[6])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2){1|S<3>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6])(N[6]S[6]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	117.0572	0.429	4	116.7310	0.277	12	116.7028	0.559	50	116.7028	0.559	50	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:2:3:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-2:N[6]-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6])2{1|H<1>,1|N<3>,4|C<3>}	116.7125	0.865	33	116.7125	0.749	33	116.7028	0.559	50	116.7028	0.559	50	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:2:3:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-2:N[6]-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(N[6]N[6])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2){1|C<3>,2|H<1>,2|N<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6a]C[6a]N[6a])(N[6]N[6])2{1|H<1>,2|C<4>,3|C<3>}	116.6320	0.208	2	116.7283	0.049	3	116.7028	0.559	50	116.7028	0.559	50	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:2:3:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-2:N[6]-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(N[6]N[6])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2){1|C<3>,2|H<1>,2|N<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6a]C[6a]N[6a])(N[6]N[6])2{1|H<1>,5|C<3>}	116.9210	0.000	1	116.7283	0.049	3	116.7028	0.559	50	116.7028	0.559	50	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:C[6]-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]C[6])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2){1|C<2>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]C[6]){1|N<3>,2|C<3>,2|H<1>}	116.7170	0.000	1	116.7170	0.000	1	116.7170	0.000	1	115.4645	0.576	28	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C[6])	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(N[6]S[6])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2){1|S<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C[6]){1|C<3>,1|N<3>,1|S<2>,2|H<1>,2|N<2>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(N[6]S[6]){1|H<1>,4|C<3>}	115.5840	0.000	1	115.5840	0.000	1	115.4181	0.535	27	115.4645	0.576	28	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(N[6]B[6]H)(N[6]C[6])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2){1|B<4>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(N[6]B[6]H)(N[6]C[6]){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	115.1390	0.000	1	115.1390	0.000	1	115.4181	0.535	27	115.4645	0.576	28	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(N[6]S[6])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2){1|S<2>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(N[6]S[6]){1|H<1>,4|C<3>}	115.0250	0.233	2	115.0250	0.054	2	115.4181	0.535	27	115.4645	0.576	28	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Cu)(N[6]C[6])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2){1|Cu<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Cu)(N[6]C[6]){1|H<1>,1|N<2>,4|C<3>}	117.1850	0.000	1	117.1850	0.000	1	115.4181	0.535	27	115.4645	0.576	28	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]H)(N[6]S[6])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2){1|S<2>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]H)(N[6]S[6]){1|H<1>,1|N<2>,3|C<3>}	115.3590	0.280	2	115.0317	0.134	6	115.4181	0.535	27	115.4645	0.576	28	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]H)(N[6]S[6])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2){1|S<3>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]H)(N[6]S[6]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	114.6445	0.211	2	115.0317	0.134	6	115.4181	0.535	27	115.4645	0.576	28	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]H)(N[6]S[6])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2){1|S<3>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]H)(N[6]S[6]){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	115.0915	0.166	2	115.0317	0.134	6	115.4181	0.535	27	115.4645	0.576	28	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Re)(N[6]C[6])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2){1|Re<6>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Re)(N[6]C[6]){1|H<1>,1|N<2>,4|C<3>}	114.4160	0.522	2	114.4160	0.272	2	115.4181	0.535	27	115.4645	0.576	28	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(N[6]N[6]C)(N[6]N[6])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(N[6]N[6]C)(N[6]N[6]){1|H<1>,2|C<4>,3|C<3>}	116.6210	0.000	1	116.6210	0.000	1	115.4181	0.535	27	115.4645	0.576	28	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(N[6]N[6]H)(N[6]C[6])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(N[6]N[6]H)(N[6]C[6]){1|C<4>,2|H<1>,3|C<3>}	116.3280	0.000	1	116.3280	0.000	1	115.4181	0.535	27	115.4645	0.576	28	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(N[6]N[6]H)(N[6]N[6])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(N[6]N[6]H)(N[6]N[6]){2|H<1>,3|C<3>}	115.2020	0.352	6	115.2020	0.124	6	115.4181	0.535	27	115.4645	0.576	28	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2)	N[6a](C[6a]C[6a]C[6])2	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(N[6]S[6])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2){1|S<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C[6])2{1|C<3>,2|H<1>,2|N<2>,2|N<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(N[6]S[6]){1|H<1>,4|C<3>}	115.4502	0.221	4	115.4502	0.049	4	115.4181	0.535	27	115.4645	0.576	28	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(C[6]N[6]2)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(N[6]N[6]H)(N[6]N[6])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(C[6]N[6]2){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,2|N<2>}	C[6](C[6a]C[6a]N[6a])(N[6]N[6]H)(N[6]N[6]){1|N<2>,2|C<3>,2|H<1>}	116.6730	0.059	2	116.6730	0.004	2	115.4181	0.535	27	115.4645	0.576	28	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:3:	C[6]-3:N[6a]-2:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(N[6a]C[6,6a])(C[6a]C[6a]C)	N[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C[6])	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6]O)(C[6]C[6]C)	C[6a](C[6]C[6]N[6])(N[6a]C[6,6a])(C[6a]C[6a]C){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	N[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C[6]){1|H<1>,1|N<3>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6]O)(C[6]C[6]C){1|H<1>,2|C<4>,3|C<3>}	116.3945	0.803	2	116.3945	0.644	2	115.4780	2.842	3	115.5238	1.531	75	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:3:	C[6]-3:N[6a]-2:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[6])	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(N[6a]C[6,6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[6]){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(C[6]C[6]H){2|H<1>,4|C<3>}	113.6450	0.000	1	113.6450	0.000	1	115.4780	2.842	3	115.5238	1.531	75	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]N[6])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]N[6]){1|N<3>,2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6]){1|N<2>,1|N<3>,1|O<2>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	113.2005	0.056	2	113.2005	0.003	2	113.2005	0.003	2	115.5238	1.531	75	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]N[6])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]N[6]){1|Pt<4>,1|H<1>,1|N<3>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6]){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Pt)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	113.6990	0.648	2	113.6990	0.420	2	113.8310	0.648	8	115.5238	1.531	75	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]N[6])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Zn)(C[6]C[6]H)	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]N[6]){1|Zn<4>,1|H<1>,1|N<3>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6]){1|Cl<1>,1|N<2>,1|N<3>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Zn)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	114.4970	0.000	1	113.8750	0.815	6	113.8310	0.648	8	115.5238	1.531	75	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]N[6])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Zn)(C[6]C[6]H)	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]N[6]){1|Zn<4>,1|H<1>,1|N<3>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6]){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Zn)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	113.7200	1.094	4	113.8750	0.815	6	113.8310	0.648	8	115.5238	1.531	75	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]N[6])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Zn)(C[6]C[6]H)	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]N[6]){1|Zn<4>,1|H<1>,1|N<3>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6]){1|N<2>,2|N<3>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Zn)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	113.8730	0.000	1	113.8750	0.815	6	113.8310	0.648	8	115.5238	1.531	75	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(C[6]C[6]2)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]N[6]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(C[6]C[6]2){1|N<3>,4|C<3>,4|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|Cl<1>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]N[6]H){2|H<1>,4|C<3>}	114.0620	0.000	1	114.0620	0.000	1	115.8331	1.053	61	115.5238	1.531	75	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2){2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2{1|N<3>,2|C<3>,3|H<1>}	115.1747	0.351	3	115.1747	0.123	3	115.8331	1.053	61	115.5238	1.531	75	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]N[6]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2){1|N<3>,2|C<3>,4|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]N[6]H){1|Pt<4>,2|H<1>,3|C<3>}	116.8160	0.000	1	116.8160	0.000	1	115.8331	1.053	61	115.5238	1.531	75	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2){3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2{1|N<3>,2|C<3>,3|H<1>}	115.7004	0.992	5	116.3206	1.385	25	115.8331	1.053	61	115.5238	1.531	75	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2){3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2{1|N<3>,2|C<3>,3|H<1>}	116.3710	0.901	5	116.3206	1.385	25	115.8331	1.053	61	115.5238	1.531	75	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2){3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2{1|H<1>,1|N<3>,4|C<3>}	116.2357	0.812	6	116.3206	1.385	25	115.8331	1.053	61	115.5238	1.531	75	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2){3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2{1|H<1>,2|C<3>,3|N<3>}	117.8515	1.248	2	116.3206	1.385	25	115.8331	1.053	61	115.5238	1.531	75	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2){3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2{1|N<3>,2|C<3>,3|H<1>}	116.3630	1.556	7	116.3206	1.385	25	115.8331	1.053	61	115.5238	1.531	75	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6a]N[6])(C[6]C[6]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2){1|N<2>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6a]N[6])(C[6]C[6]H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	116.7840	0.000	1	116.7840	0.000	1	115.8331	1.053	61	115.5238	1.531	75	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2)	N[6a](C[6a]C[6a]C[6])(C[6a]N[6a]N)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]N[6]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|N<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]N[6a]N){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]N[6]H){1|Cu<5>,2|H<1>,3|C<3>}	116.1220	0.000	1	116.2845	0.053	2	115.8331	1.053	61	115.5238	1.531	75	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2)	N[6a](C[6a]C[6a]C[6])(C[6a]N[6a]N)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]N[6]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2){1|C<3>,1|N<2>,1|O<2>,2|H<1>,2|N<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]N[6a]N){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]N[6]H){1|Co<6>,2|H<1>,3|C<3>}	116.4470	0.000	1	116.2845	0.053	2	115.8331	1.053	61	115.5238	1.531	75	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2)	N[6a](C[6a]C[6a]C[6])(C[6a]N[6a]S)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]N[6]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2){1|C<3>,1|N<2>,1|N<3>,1|S<2>,3|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]N[6a]S){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]N[6]H){1|Mn<6>,2|H<1>,3|C<3>}	115.5800	0.000	1	115.7280	0.044	2	115.8331	1.053	61	115.5238	1.531	75	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2)	N[6a](C[6a]C[6a]C[6])(C[6a]N[6a]S)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]N[6]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2){1|C<3>,1|N<2>,1|N<3>,1|S<4>,3|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]N[6a]S){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]N[6]H){3|C<3>,3|H<1>}	115.8760	0.000	1	115.7280	0.044	2	115.8331	1.053	61	115.5238	1.531	75	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2)	N[6a](C[6a]C[6a]C[6])(C[6a]N[6a]S)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2){1|N<2>,1|S<2>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]N[6a]S){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2{1|N<3>,2|C<3>,3|H<1>}	116.7945	0.909	2	116.4543	0.760	3	115.8331	1.053	61	115.5238	1.531	75	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2)	N[6a](C[6a]C[6a]C[6])(C[6a]N[6a]S)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2){1|N<2>,1|S<4>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]N[6a]S){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2{1|N<3>,2|C<3>,3|H<1>}	115.7740	0.000	1	116.4543	0.760	3	115.8331	1.053	61	115.5238	1.531	75	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2)	N[6a](C[6a]C[6a]C[6])2	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]N[6]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]C[6])2{2|H<1>,5|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]N[6]H){3|C<3>,3|H<1>}	115.8400	0.031	2	115.8400	0.001	2	115.8331	1.053	61	115.5238	1.531	75	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2)	N[6a](C[6a]C[6a]C[6])2	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2){2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]C[6])2{2|H<1>,5|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2{1|N<3>,2|C<3>,3|H<1>}	115.2181	0.536	18	115.2181	0.288	18	115.8331	1.053	61	115.5238	1.531	75	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(C[6]C[6]2)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[5,6]H)(C[6]C[5,6]O)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(C[6]C[6]2){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[5,6]H)(C[6]C[5,6]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<2>}	115.7400	0.000	1	115.2083	0.686	3	115.8331	1.053	61	115.5238	1.531	75	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(C[6]C[6]2)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[5,6]H)(C[6]C[5,6]O)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(C[6]C[6]2){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[5,6]H)(C[6]C[5,6]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<2>}	114.9425	0.974	2	115.2083	0.686	3	115.8331	1.053	61	115.5238	1.531	75	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:N[6]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2){2|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]C)2{1|H<1>,5|C<3>}	114.9840	0.000	1	114.9840	0.000	1	114.9840	0.000	1	115.5238	1.531	75	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:2:2:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-2:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[6a]C[6a]N[6a])(C[6]C[6])(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){5|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2){1|C<2>,2|C<3>,2|H<1>,2|N<2>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6])(N[6]C[6]){2|H<1>,4|C<3>}	116.9100	0.000	1	116.9100	0.000	1	117.9615	2.211	2	117.9615	2.211	2	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:2:2:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-2:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6])(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|N<2>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6])(N[6]C[6]){1|H<1>,1|N<2>,4|C<3>}	119.0130	0.000	1	119.0130	0.000	1	117.9615	2.211	2	117.9615	2.211	2	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:2:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-2:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a])(C[6]N[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a])(C[6]N[6]H){1|Pt<4>,1|H<1>,4|C<3>}	115.5150	0.000	1	115.5150	0.000	1	115.5150	0.000	1	118.1995	14.413	2	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:2:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:S[6]-2:C[6]-3:	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(S[6]C[5,6])(C[6]S[6]H)	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(S[6]C[5,6])(C[6]S[6]H){1|H<1>,1|S<2>,3|C<3>}	120.8840	0.000	1	120.8840	0.000	1	120.8840	0.000	1	118.1995	14.413	2	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:2:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:N[6]-2:	C[6a](C[6]C[5,6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]N[6a])(N[6]N[6])	C[6a](C[6]C[5,6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]N[6a])(N[6]N[6]){1|Ru<6>,1|H<1>,6|C<3>}	118.4730	0.000	1	118.4730	0.000	1	118.4730	0.000	1	115.7630	1.744	56	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:2:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:N[6]-2:	C[6a](C[6]C[5a,6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]N[6a]N)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]N[6a])(N[6]C[6])	C[6a](C[6]C[5a,6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>,2|N<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]N[6a]N){1|H<1>,1|N<2>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]N[6a])(N[6]C[6]){1|C<4>,4|C<3>,4|H<1>}	116.8290	0.000	1	116.8290	0.000	1	116.8290	0.000	1	115.7630	1.744	56	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:2:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]){2|H<1>,3|C<3>}	115.2650	0.000	1	115.2650	0.000	1	115.8679	1.221	50	115.7630	1.744	56	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:2:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]N[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]N[6]){1|Pt<4>,1|C<4>,1|H<1>,3|C<3>}	116.9270	0.000	1	116.6259	0.557	8	115.8679	1.221	50	115.7630	1.744	56	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:2:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]N[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]N[6]){1|Pt<6>,1|C<4>,1|H<1>,3|C<3>}	116.5829	0.796	7	116.6259	0.557	8	115.8679	1.221	50	115.7630	1.744	56	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:2:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]){2|H<1>,3|C<3>}	116.0970	0.000	1	115.8695	0.104	2	115.8679	1.221	50	115.7630	1.744	56	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:2:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]){1|H<1>,1|N<3>,4|C<3>}	115.6420	0.000	1	115.8695	0.104	2	115.8679	1.221	50	115.7630	1.744	56	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:2:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6,6a])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6,6a]){1|Re<6>,1|H<1>,1|N<3>,5|C<3>}	117.1920	0.000	1	116.4880	0.991	2	115.8679	1.221	50	115.7630	1.744	56	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:2:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6,6a])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6,6a]){1|Ru<9>,1|H<1>,1|N<3>,5|C<3>}	115.7840	0.000	1	116.4880	0.991	2	115.8679	1.221	50	115.7630	1.744	56	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:2:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]){1|Ag<5>,1|N<3>,2|H<1>,4|C<3>}	115.2580	0.000	1	115.6658	1.380	31	115.8679	1.221	50	115.7630	1.744	56	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:2:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]){1|Co<6>,1|H<1>,1|N<3>,5|C<3>}	115.4963	0.758	3	115.6658	1.380	31	115.8679	1.221	50	115.7630	1.744	56	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:2:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]){1|Cr<6>,1|H<1>,1|N<3>,5|C<3>}	115.9793	0.812	3	115.6658	1.380	31	115.8679	1.221	50	115.7630	1.744	56	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:2:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]){1|Cu<5>,1|N<3>,2|H<1>,4|C<3>}	117.1740	0.000	1	115.6658	1.380	31	115.8679	1.221	50	115.7630	1.744	56	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:2:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]){1|Fe<6>,1|H<1>,1|N<3>,5|C<3>}	115.7302	0.530	5	115.6658	1.380	31	115.8679	1.221	50	115.7630	1.744	56	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:2:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]){1|Mn<6>,1|H<1>,1|N<3>,5|C<3>}	115.8748	2.174	6	115.6658	1.380	31	115.8679	1.221	50	115.7630	1.744	56	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:2:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]){1|Mn<6>,1|N<3>,2|H<1>,4|C<3>}	117.2070	0.000	1	115.6658	1.380	31	115.8679	1.221	50	115.7630	1.744	56	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:2:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]){1|Ni<6>,1|H<1>,1|N<3>,5|C<3>}	115.4260	0.471	2	115.6658	1.380	31	115.8679	1.221	50	115.7630	1.744	56	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:2:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]){1|Pd<4>,1|N<3>,2|H<1>,4|C<3>}	115.6210	0.000	1	115.6658	1.380	31	115.8679	1.221	50	115.7630	1.744	56	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:2:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]){1|Pt<4>,1|N<3>,2|H<1>,4|C<3>}	115.5227	0.618	3	115.6658	1.380	31	115.8679	1.221	50	115.7630	1.744	56	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:2:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]){1|Pt<6>,1|N<3>,2|H<1>,4|C<3>}	113.8410	0.000	1	115.6658	1.380	31	115.8679	1.221	50	115.7630	1.744	56	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:2:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]){1|Zn<5>,1|H<1>,1|N<3>,5|C<3>}	115.1980	1.052	4	115.6658	1.380	31	115.8679	1.221	50	115.7630	1.744	56	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:2:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6])(N[6]N[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6])(N[6]N[6]){1|Ru<6>,1|H<1>,6|C<3>}	117.7760	0.000	1	116.5390	1.264	3	115.8679	1.221	50	115.7630	1.744	56	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:2:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6])(N[6]N[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6])(N[6]N[6]){1|Ru<6>,1|N<2>,2|H<1>,4|C<3>}	115.5790	0.000	1	116.5390	1.264	3	115.8679	1.221	50	115.7630	1.744	56	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:2:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6])(N[6]N[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6])(N[6]N[6]){1|Ru<6>,2|H<1>,5|C<3>}	116.2620	0.000	1	116.5390	1.264	3	115.8679	1.221	50	115.7630	1.744	56	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:2:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6a]N[6])(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6a]N[6])(N[6]C[6]){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	115.1110	0.721	2	115.1110	0.520	2	115.8679	1.221	50	115.7630	1.744	56	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:2:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]N[6]H)(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]N[6]H)(N[6]C[6]){1|Ir<6>,2|H<1>,3|C<3>}	114.9300	0.000	1	114.9300	0.000	1	115.8679	1.221	50	115.7630	1.744	56	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:2:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(O[6]C[6]){1|H<1>,5|C<3>}	114.5335	0.394	2	114.5335	0.155	2	114.5335	0.155	2	115.7630	1.744	56	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6a]N[6a]C[6])(C[6]C[6]N[6])(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6])	C[6a](C[6a]N[6a]C[6])(C[6]C[6]N[6])(N[6a]C[6a]){1|C<2>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<2>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]){1|H<1>,1|N<2>,3|C<3>}	113.5640	0.000	1	113.5640	0.000	1	113.5640	0.000	1	115.7630	1.744	56	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-2:	C[6a](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])2	C[6](C[6a]C[6a]N[6a])(N[6]C[6]H)(C[6]C[6])	C[6a](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6a]C[6a]){1|C<2>,1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a]C[6a]C[6])2{1|C<2>,1|N<2>,2|N<3>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]H)(C[6]C[6]){1|H<1>,1|N<2>,3|C<3>}	111.3970	0.000	1	111.3970	0.000	1	111.3970	0.000	1	115.7630	1.744	56	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6]C[6]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6]C[6]H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	116.2600	0.000	1	116.2600	0.000	1	116.1350	0.035	3	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6]C[6]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6]C[6]H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	116.0725	0.214	2	116.0725	0.046	2	116.1350	0.035	3	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])2	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a]C[6a]C[6])2{2|C<4>,2|N<3>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	113.0850	0.000	1	113.0850	0.000	1	114.9377	0.929	146	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C[6])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C[6]){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	114.4562	1.048	4	114.4562	1.099	4	114.9377	0.929	146	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[6a]C[6a]N[6a])(C[6]C[3x6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[3x6]H)(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	115.1698	0.809	6	115.1698	0.655	6	114.9377	0.929	146	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]C)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]C){3|C<3>,3|H<1>}	116.0440	0.000	1	116.0440	0.000	1	114.9377	0.929	146	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|Ir<6>,2|H<1>,3|C<3>}	114.8190	0.000	2	114.6153	0.674	7	114.9377	0.929	146	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|S<1>,2|H<1>,3|C<3>}	114.8835	1.108	2	114.6153	0.674	7	114.9377	0.929	146	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,3|H<1>}	114.3007	1.071	3	114.6153	0.674	7	114.9377	0.929	146	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|Br<1>,2|H<1>,3|C<3>}	117.0920	0.000	1	117.0920	0.000	1	114.9377	0.929	146	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|C<2>,2|H<1>,3|C<3>}	113.9030	0.000	1	114.7559	1.042	14	114.9377	0.929	146	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,3|H<1>}	114.5730	0.000	1	114.7559	1.042	14	114.9377	0.929	146	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	114.9216	1.361	5	114.7559	1.042	14	114.9377	0.929	146	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|S<1>,2|H<1>,3|C<3>}	115.4660	0.000	1	114.7559	1.042	14	114.9377	0.929	146	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|S<2>,2|H<1>,3|C<3>}	114.4740	0.011	2	114.7559	1.042	14	114.9377	0.929	146	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,3|H<1>}	113.7600	0.000	1	114.7559	1.042	14	114.9377	0.929	146	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	115.0360	1.783	2	114.7559	1.042	14	114.9377	0.929	146	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){2|H<1>,4|C<3>}	115.2530	0.000	1	114.7559	1.042	14	114.9377	0.929	146	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[3x6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[3x6]H)(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	114.1530	0.000	1	114.1530	0.000	1	114.9377	0.929	146	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]B)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|B<4>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]B){3|C<3>,3|H<1>}	112.3040	0.000	1	112.3040	0.000	1	114.9377	0.929	146	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,4|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){2|H<1>,5|C<3>}	115.4530	0.000	2	114.8779	0.469	53	114.9377	0.929	146	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	115.5410	0.000	1	114.8779	0.469	53	114.9377	0.929	146	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	114.5907	0.755	8	114.8779	0.469	53	114.9377	0.929	146	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,3|H<1>}	114.5550	0.000	1	114.8779	0.469	53	114.9377	0.929	146	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,3|H<1>}	115.6480	0.000	1	114.8779	0.469	53	114.9377	0.929	146	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|N<4>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,3|H<1>}	116.0870	0.000	1	114.8779	0.469	53	114.9377	0.929	146	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|P<4>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,3|H<1>}	113.8250	0.000	1	114.8779	0.469	53	114.9377	0.929	146	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,3|H<1>}	114.8630	0.000	1	114.8779	0.469	53	114.9377	0.929	146	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,3|H<1>}	115.2320	0.827	2	114.8779	0.469	53	114.9377	0.929	146	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|H<1>,1|S<1>,4|C<3>}	115.4130	0.000	1	114.8779	0.469	53	114.9377	0.929	146	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|Ir<6>,2|H<1>,3|C<3>}	114.5995	0.467	2	114.8779	0.469	53	114.9377	0.929	146	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|S<1>,2|H<1>,3|C<3>}	115.5330	0.000	1	114.8779	0.469	53	114.9377	0.929	146	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,3|H<1>}	114.8313	0.666	31	114.8779	0.469	53	114.9377	0.929	146	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]O)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]O){2|H<1>,4|C<3>}	111.9420	0.000	1	112.2520	0.192	2	114.9377	0.929	146	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]O)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]O){3|C<3>,3|H<1>}	112.5620	0.000	1	112.2520	0.192	2	114.9377	0.929	146	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]Cu)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cu<5>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]Cu){1|Cu<5>,1|H<1>,1|N<3>,5|C<3>}	115.2403	0.276	4	115.2403	0.076	4	114.9377	0.929	146	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]Pt)(N[6]C[6]O)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|Pt<4>,1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]Pt)(N[6]C[6]O){3|C<3>,3|H<1>}	115.9970	0.561	2	115.9970	0.315	2	114.9377	0.929	146	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]S[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|S<4>,2|C<3>,4|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]S[6]H)(N[6]C[6]H){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	114.2630	0.000	1	114.2630	0.000	1	114.9377	0.929	146	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]S)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]S){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	115.1370	0.129	2	115.1370	0.017	2	114.9377	0.929	146	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])2	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]C)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	N[6a](C[6a]C[6a]C[6])2{2|H<1>,2|N<3>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]C){3|C<3>,3|H<1>}	116.6660	0.000	1	116.6660	0.000	1	114.9377	0.929	146	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])2	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]C[6])2{2|H<1>,2|N<3>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,3|H<1>}	115.2712	0.651	19	115.4148	0.771	37	114.9377	0.929	146	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])2	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a]C[6a]C[6])2{2|H<1>,2|N<3>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,3|H<1>}	115.5664	1.066	18	115.4148	0.771	37	114.9377	0.929	146	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])2	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]O)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<1>,5|C<3>}	N[6a](C[6a]C[6a]C[6])2{2|H<1>,2|N<3>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]O){3|C<3>,3|H<1>}	113.6450	0.000	1	113.6880	0.594	3	114.9377	0.929	146	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])2	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]O)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]C[6])2{2|H<1>,2|N<3>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]O){3|C<3>,3|H<1>}	113.7095	1.088	2	113.6880	0.594	3	114.9377	0.929	146	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])2	C[6](C[6a]C[6a]N[6a])(C[6]S[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|S<4>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[6])2{2|H<1>,2|N<3>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]S[6]H)(N[6]C[6]H){1|H<1>,2|O<1>,4|C<3>}	114.9775	0.564	2	114.9775	0.318	2	114.9377	0.929	146	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N)(N[6]C[6]O)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]N)(N[6a]C[6a]){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N)(N[6]C[6]O){1|N<3>,2|H<1>,3|C<3>}	114.0850	0.000	1	114.0850	0.000	1	114.9377	0.929	146	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]N[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]N[6a]C)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C){1|N<2>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	113.9255	0.453	2	113.9255	0.205	2	114.9377	0.929	146	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Rh)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(N[6a]C[6a]){1|Br<1>,1|Rh<8>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Rh)(C[6]C[6]H){2|H<1>,4|C<3>}	110.5320	0.000	1	110.5320	0.000	1	116.1445	3.342	54	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Rh)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|Rh<5>,1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Rh)(C[6]C[6]H){3|C<3>,3|H<1>}	114.6560	0.000	1	114.8280	0.059	2	116.1445	3.342	54	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Rh)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|Rh<5>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Rh)(C[6]C[6]H){3|C<3>,3|H<1>}	115.0000	0.000	1	114.8280	0.059	2	116.1445	3.342	54	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]In)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|In<5>,1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]In)(C[6]C[6]H){3|C<3>,3|H<1>}	117.1970	0.000	1	117.1970	0.000	1	116.1445	3.342	54	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Pd)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|Pd<4>,1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Pd)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	114.9570	0.000	1	116.1160	2.687	2	116.1445	3.342	54	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Pd)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|Pd<4>,1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Pd)(C[6]C[6]H){3|C<3>,3|H<1>}	117.2750	0.000	1	116.1160	2.687	2	116.1445	3.342	54	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]O)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]O)(C[6]C[6]H){2|H<1>,4|C<3>}	113.2400	0.000	1	113.2400	0.000	1	116.1445	3.342	54	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]Zn)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|Zn<6>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]Zn)(C[6]C[6]H){2|H<1>,4|C<3>}	118.5655	0.254	2	118.5655	0.064	2	116.1445	3.342	54	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]As)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|As<2>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]As)(C[6]C[6]H){3|C<3>,3|H<1>}	112.5670	0.000	1	112.5670	0.000	1	116.1445	3.342	54	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Cu)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cu<4>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Cu)(C[6]C[6]H){1|H<1>,5|C<3>}	115.2470	0.000	1	114.6285	0.765	2	116.1445	3.342	54	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Cu)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cu<4>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Cu)(C[6]C[6]H){2|H<1>,4|C<3>}	114.0100	0.000	1	114.6285	0.765	2	116.1445	3.342	54	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|Ir<6>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Ir)(C[6]C[6]H){1|H<1>,5|C<3>}	116.2160	1.387	2	115.8190	3.208	4	116.1445	3.342	54	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|Ir<6>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Ir)(C[6]C[6]H){2|H<1>,4|C<3>}	115.4220	2.659	2	115.8190	3.208	4	116.1445	3.342	54	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Mn)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|Mn<6>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Mn)(C[6]C[6]H){1|H<1>,5|C<3>}	116.2030	0.000	1	115.6765	0.554	2	116.1445	3.342	54	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Mn)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|Mn<6>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Mn)(C[6]C[6]H){2|H<1>,4|C<3>}	115.1500	0.000	1	115.6765	0.554	2	116.1445	3.342	54	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Ni)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|Ni<4>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Ni)(C[6]C[6]H){2|H<1>,4|C<3>}	116.2830	0.000	1	116.2830	0.000	1	116.1445	3.342	54	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|Pt<4>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Pt)(C[6]C[6]H){1|H<1>,5|C<3>}	117.0075	0.226	2	116.4300	1.440	4	116.1445	3.342	54	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|Pt<6>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Pt)(C[6]C[6]H){1|H<1>,5|C<3>}	115.8525	1.713	2	116.4300	1.440	4	116.1445	3.342	54	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Re)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|Re<6>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Re)(C[6]C[6]H){1|H<1>,1|N<3>,4|C<3>}	119.1490	0.000	1	116.0941	1.327	16	116.1445	3.342	54	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Re)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|Re<6>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Re)(C[6]C[6]H){1|H<1>,1|O<2>,4|C<3>}	116.0215	0.793	2	116.0941	1.327	16	116.1445	3.342	54	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Re)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|Re<6>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Re)(C[6]C[6]H){1|H<1>,5|C<3>}	115.8737	0.562	7	116.0941	1.327	16	116.1445	3.342	54	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Re)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|Re<6>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Re)(C[6]C[6]H){2|H<1>,4|C<3>}	115.8663	1.215	6	116.0941	1.327	16	116.1445	3.342	54	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Ru)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|Ru<6>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Ru)(C[6]C[6]H){1|Cl<1>,1|H<1>,4|C<3>}	114.8660	0.000	1	115.0543	0.095	3	116.1445	3.342	54	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Ru)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|Ru<6>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Ru)(C[6]C[6]H){1|H<1>,5|C<3>}	114.8870	0.000	1	115.0543	0.095	3	116.1445	3.342	54	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Ru)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|Ru<6>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Ru)(C[6]C[6]H){2|H<1>,4|C<3>}	115.4100	0.000	1	115.0543	0.095	3	116.1445	3.342	54	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2){1|Ir<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Ir)(C[6]C[6]H){2|H<1>,3|C<3>}	118.8274	1.276	5	118.8274	1.629	5	116.1445	3.342	54	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Fe)(C[6]C[6]N)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]N)(N[6a]C[6a]){1|Fe<6>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Fe)(C[6]C[6]N){1|N<3>,2|H<1>,3|C<3>}	116.2260	0.000	1	116.2260	0.000	1	116.1445	3.342	54	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Os)(C[6]C[6]O)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]O)(N[6a]C[6a]){1|Os<6>,1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Os)(C[6]C[6]O){1|O<2>,2|H<1>,3|C<3>}	113.1810	0.000	1	113.1810	0.000	1	116.1445	3.342	54	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,3|C<3>}	117.1565	0.431	2	117.2477	0.118	3	116.1445	3.342	54	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|Pt<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,3|C<3>}	117.4300	0.000	1	117.2477	0.118	3	116.1445	3.342	54	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Rh)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Rh)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Rh)(N[6a]C[6a]){1|Br<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br){1|Rh<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Rh)(C[6]C[6]H){2|H<1>,3|C<3>}	118.1950	0.000	1	118.1950	0.000	1	116.1445	3.342	54	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ru)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Ru)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ru)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Ru)(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	117.2100	0.000	1	117.2100	0.000	1	116.1445	3.342	54	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]N[5,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]P)	C[6](N[5,6]C[5,6]Ga[5])(C[6a]C[6a]N[6a])(C[6]C[6]H)	C[6a](C[6]N[5,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|Ga<4>,1|P<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]P){1|N<3>,2|C<3>,2|H<1>}	C[6](N[5,6]C[5,6]Ga[5])(C[6a]C[6a]N[6a])(C[6]C[6]H){2|Cl<1>,1|N<3>,2|H<1>,4|C<3>}	114.6455	1.389	2	114.6455	1.931	2	114.6455	1.931	2	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:N[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(N[6a]C[6a]Eu)(N[6a]C[6a])	N[6a](C[6a]N[6a]C[6])(C[6a]N[6a]O)	C[6](C[6a]N[6a]2)(N[6]C[6]Eu)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(N[6a]C[6a]Eu)(N[6a]C[6a]){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	N[6a](C[6a]N[6a]C[6])(C[6a]N[6a]O){1|Eu<11>,1|N<3>,2|C<3>}	C[6](C[6a]N[6a]2)(N[6]C[6]Eu)(C[6]C[6]H){2|H<1>,3|C<3>}	117.5160	0.000	1	117.5160	0.000	1	117.5160	0.000	1	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6a]C[6a]C[5])(C[6]C[6]N[6])(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[5a]C[6])(N[6]C[6]Pt)	C[6a](C[6a]C[6a]C[5])(C[6]C[6]N[6])(N[6a]C[6a]){1|Pt<4>,2|H<1>,2|N<3>,4|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[5a]C[6])(N[6]C[6]Pt){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	113.0430	0.000	1	113.0430	0.000	1	112.6407	2.123	16	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6a]C[6a]){1|N<2>,2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2){1|N<3>,2|N<2>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	111.1017	0.211	3	111.1017	0.045	3	112.6407	2.123	16	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]C)	C[6a](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6a]C[6a]){1|C<2>,1|C<4>,1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C){1|C<2>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]C){1|N<2>,2|H<1>,3|C<3>}	113.6325	1.119	2	113.6325	1.253	2	112.6407	2.123	16	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6a]C[6a]){1|N<2>,3|H<1>,4|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	112.4626	1.528	5	112.4626	2.335	5	112.6407	2.123	16	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])2	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6a]C[6a]){1|N<2>,2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]C[6])2{1|C<2>,1|N<2>,2|N<3>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	111.3580	0.000	1	111.3580	0.000	1	112.6407	2.123	16	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6a]N[6a]C[6])(C[6]C[6]N[6])(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6a]N[6a]C[6])(C[6]C[6]N[6])(N[6a]C[6a]){1|N<3>,2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C){1|N<2>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	115.2230	0.000	1	115.2230	0.000	1	112.6407	2.123	16	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6a]N[6a]C[6])(C[6]C[6]N[6])(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6a]N[6a]C[6])(C[6]C[6]N[6])(N[6a]C[6a]){1|N<2>,3|H<1>,4|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	112.0050	0.000	1	112.0050	0.000	1	112.6407	2.123	16	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6a]N[6a]C[6])(C[6]C[6]N[6])(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])2	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6a]N[6a]C[6])(C[6]C[6]N[6])(N[6a]C[6a]){1|N<3>,2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]C[6])2{1|N<2>,2|N<3>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	113.8700	0.156	2	113.8700	0.024	2	112.6407	2.123	16	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6a]N[6a]C[6])(C[6]C[6]N[6])(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Pd)(C[6]C[6]H)	C[6a](C[6a]N[6a]C[6])(C[6]C[6]N[6])(N[6a]C[6a]){1|Pd<4>,1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Pd)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	113.0371	0.460	8	113.0371	0.212	8	113.2138	0.226	12	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6a]N[6a]C[6])(C[6]C[6]N[6])(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6a]N[6a]C[6])(C[6]C[6]N[6])(N[6a]C[6a]){1|Pt<4>,1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Pt)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	113.5673	0.289	4	113.5673	0.083	4	113.2138	0.226	12	114.9946	2.392	234	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:4:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:S[6]-4:	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6,6a]H)(S[6]N[6]OO)	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|O<1>,3|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6,6a]H)(S[6]N[6]OO){2|H<1>,4|C<3>}	114.9820	0.000	1	114.9820	0.000	1	114.9820	0.000	1	116.3635	3.817	2	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:3:4:	C[6a,6a]-3:C[6]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[6]C[6]HP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6])(N[6a]C[6a,6a]){1|P<4>,2|H<1>,7|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6]){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[6]C[6]HP){2|H<1>,6|C<3>}	117.7450	0.000	1	117.7450	0.000	1	117.7450	0.000	1	116.3635	3.817	2	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:4:2:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[5,6]CH)(N[6]N[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[5,6]CH)(N[6]N[6]){2|C<3>,2|C<4>,3|H<1>}	116.3525	0.035	2	116.3525	0.001	2	116.4667	0.040	3	116.4667	0.040	3	116.0500	2.500	717	116.3224	3.390	830
643	371	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:2:	3:3:	3:4:2:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]RuH)(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|Ru<9>,1|C<3>,2|C<4>,3|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]RuH)(N[6]C[6]){1|Ru<9>,1|C<4>,2|C<3>,3|H<1>}	116.6950	0.000	1	116.6950	0.000	1	116.4667	0.040	3	116.4667	0.040	3	116.0500	2.500	717	116.3224	3.390	830